SCHEMBL31134141

SCHEMBL31134141

COc1cccc(NC(=O)c2ccc(-c3nc4ccccc4n3CC(=O)Nc3cccc(C#N)c3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 3/20 0.65
▸ USP2 O75604 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ BCHE P06276 2/20 0.57
▸ MAOB P27338 2/20 0.52
▸ MAPK14 Q16539 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MCHR1 Q99705 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ PLAU P00749 1/20 0.48

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
SCHEMBL31134121 0.94 PIN1 (0.64) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134181 0.93 PIN1 (0.74) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134126 0.91 PIN1 (0.75) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134198 0.89 PIN1 (0.70) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134293 0.89 PIN1 (0.70) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134211 0.88 PIN1 (0.69) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134239 0.88 PIN1 (0.68) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134260 0.88 PIN1 (0.68) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134162 0.88 PIN1 (0.68) PIN1USP2HSD17B10BCHEMAOB
SCHEMBL31134327 0.88 PIN1 (0.68) PIN1USP2HSD17B10BCHEMAOB

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-118666757-A Benzimidazole antitumor compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 — — CN claimed
CN-118666757-A Benzimidazole antitumor compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 — — CN disclosed
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