SCHEMBL25767482

SCHEMBL25767482

CC#CSc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ DNMT1 P26358 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL31299839 0.80 CYP3A4 (0.48) ACHETDP1ALDH1A1MAPTMEN1
SCHEMBL1119058 0.79 ACHE (0.44) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL7446590 0.77 HPGD (0.41) ACHEALDH1A1MAPT
SCHEMBL21670985 0.76 GRM5 (0.42) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL10958524 0.75 CA1 (0.48) ACHETDP1ALDH1A1MAPTNPSR1
SCHEMBL28347819 0.74 ACHE (0.44) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL10858546 0.74 ACHE (0.44) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL2804485 0.72 ACHE (0.42) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL171086 0.72 MAPT (0.58) ACHETDP1DNMT1ALDH1A1CYP2A6
SCHEMBL29560906 0.72 VCP (0.44) ACHETDP1ALDH1A1MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039217-A N-alkyl pyridyl quaternary ammonium salt substituted diazoacetate and preparation method and application thereof 常州大学 2024-11-29 — — CN disclosed
US-20230203239-A1 Cyclic ether-anhydride photopolyaddition and uses thereof UNIVERSITÉ DE HAUTE-ALSACE (FR) 2023-06-29 — — US disclosed
Send feedback