SCHEMBL1600461

SCHEMBL1600461

N#CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PYCR1 P32322 1/20 0.42
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.40
CALM1 P0DP23 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3447977 0.87 ALDH1A1 (0.76) ALDH1A1TSHRL3MBTL1AOC3LMNA
SCHEMBL13183093 0.83 ALDH1A1 (0.70) ALDH1A1TSHRL3MBTL1AOC3LMNA
SCHEMBL6824616 0.83 ALDH1A1 (0.70) ALDH1A1TSHRL3MBTL1AOC3USP2
SCHEMBL11507988 0.76 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1AOC3CYP1A2
SCHEMBL14390768 0.76 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1AOC3CYP1A1
SCHEMBL1557311 0.76 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1AOC3CYP1A2
SCHEMBL11405433 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1AOC3LMNAMAOA
SCHEMBL1851827 0.76 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1AOC3CYP1A1
SCHEMBL1797079 0.75 ALDH1A1 (0.60) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL26801 0.75 ALDH1A1 (0.60) ALDH1A1TSHRAOC3LMNAUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113460993-B Zinc-nitrogen modified dual-carbon catalytic material, preparation method thereof and application thereof in zinc-air battery 湘潭大学 2022-07-05 CN claimed
CN-113460993-A Zinc-nitrogen modified dual-carbon catalytic material, preparation method thereof and application thereof in zinc-air battery 湘潭大学 2021-10-01 CN claimed
WO-2005080299-A1 NOVEL MONOSULFONYLATED AND CARBONYLATED CHIRAL COMPOUNDS DERIVED FROM A DIAMINE OR AN AMINOALCOHOL AND CARRYING A PYRROLIDINYL GROUP, THE PREPARATION THEREOF, AND THE APPLICATIONS OF THE SAME IN ASYMMETRICAL CATALYSIS RHODIA CHIMIE (FR) 2005-09-01 WO claimed
US-5332784-A Conjugated diene, vinylaromatic copolymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-26 US claimed
EP-0269546-B1 CYANAMIDE DERIVATIVES AS VULCANIZATION RATE MODIFIERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-01-02 EP claimed
US-4835209-A Rubber for tire treads and compositions thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-05-30 US claimed
EP-0269546-A1 Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-06-01 EP claimed
US-4714742-A Cyanamide derivatives as vulcanization rate modifiers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-12-22 US claimed
CN-117658861-A Preparation method of N, N-disubstituted cyanamide derivative 宁夏大学 2024-03-08 CN disclosed
US-11421049-B2 Photopolymerization synergist Piedmont Chemical Industries, LLC (US) 2022-08-23 US disclosed
CN-113460993-B Zinc-nitrogen modified dual-carbon catalytic material, preparation method thereof and application thereof in zinc-air battery 湘潭大学 2022-07-05 CN disclosed
CN-113460993-A Zinc-nitrogen modified dual-carbon catalytic material, preparation method thereof and application thereof in zinc-air battery 湘潭大学 2021-10-01 CN disclosed
WO-2021096751-A1 PHOTOPOLYMERIZATION SYNERGIST Piedmont Chemical Industries, LLC (US) 2021-05-20 WO disclosed
US-20210139616-A1 Photopolymerization Synergist Piedmont Chemical Industries, LLC 2021-05-13 US disclosed
US-4000259-A DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-28 US disclosed
US-3998795-A (Acyl-D-α-amino acid-gly-gly-tyr-ala)1 -somatostatin AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-21 US disclosed
US-3988308-A (Tyr3, Tyr14)-SRIF and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-26 US disclosed
US-3988304-A Cyclic dodecapeptide derivatives of somatostatin and intermediates thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-26 US disclosed
US-3933784-A Des-(ser13)-srif and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-20 US disclosed
US-3931140-A (H-gly-gly-tyr-ala)1 -somatostatin AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US disclosed