SCHEMBL7465385

SCHEMBL7465385

[CH2]c1ccccc1NC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PEPD P12955 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 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
SCHEMBL3928666 0.85 GAA (0.67) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL29840068 0.85 GAA (0.67) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL3826923 0.82 RAB9A (0.43) KDM4EMAPTALDH1A1SMN1; SMN2RECQL
SCHEMBL10443403 0.80 L3MBTL1 (0.59) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL29239839 0.80 NPC1 (0.39) GAAALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL1060976 0.80 KDM4E (0.38) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL840655 0.80 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL7216736 0.79 CA1 (0.57) MEN1KMT2ATSHRHDAC3HDAC1
SCHEMBL449957 0.78 HDAC3 (0.54) GAAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL17443378 0.77 TGM2 (0.57) KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP claimed
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US claimed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP claimed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5902819-A Triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1999-05-11 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
EP-0501568-B1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME (GB) 1997-08-20 EP disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP disclosed
WO-1993018029-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1993-09-16 WO disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed
US-5208248-A Hydroxytryptamine Receptor Agonists MERCK SHARPE & DOHME, LTD. (GB) 1993-05-04 US disclosed
US-5194440-A Treatment for migraine; selective agonist MERCK SHARP & DOHME LTD. (GB) 1993-03-16 US disclosed
EP-0501568-A1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME LTD. (GB) 1992-09-02 EP disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 EP disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 EP disclosed
EP-0207447-A2 Tetrazolyl derivatives of beta-lactams useful as elastase inhibitors MERCK & CO. INC. (US) 1987-01-07 EP disclosed