SCHEMBL11746637

SCHEMBL11746637

Cc1ccc2sc3nnc(C)n3c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 4/20 0.37
▸ PARP2 Q9UGN5 4/20 0.37
▸ PARP15 Q460N3 3/20 0.37
▸ TNKS2 Q9H2K2 3/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ TIPARP Q7Z3E1 1/20 0.37
▸ PARP16 Q8N5Y8 1/20 0.37
▸ PARP12 Q9H0J9 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PARP4 Q9UKK3 1/20 0.37
▸ PARP3 Q9Y6F1 1/20 0.37
▸ BRPF1 P55201 1/20 0.37
▸ TSHR P16473 3/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL11744435 0.79 BRPF1 (0.55) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11536976 0.68 CHEK1 (0.66) PARP10PARP2PARP15TNKS2TNKS
Hydrochloric Acid SCHEMBL11747896 0.67 CHEK1 (0.64) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11852619 0.64 PARP10 (0.39) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11748057 0.63 BRPF1 (0.53) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11532017 0.63 PARP2 (0.53) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL11537172 0.62 DCTPP1 (0.34) PARP10PARP2PARP15TNKS2TNKS
SCHEMBL4023863 0.56 CDK2 (0.34) CDK2CDK1CCNB1
SCHEMBL23030303 0.55 KDM4E (0.38) HSD17B10KDM4EALDH1A1LMNAMAPT
SCHEMBL12109863 0.54 NPC1 (0.49) HSD17B10KDM4EALDH1A1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064261-A TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
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