SCHEMBL11359826

SCHEMBL11359826

Cc1ccc2c(c1)sc1c(C(=O)O)cnc(=O)n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PARP2 Q9UGN5 4/20 0.44
▸ PARP15 Q460N3 2/20 0.44
▸ PARP14 Q460N5 2/20 0.44
▸ TNKS2 Q9H2K2 2/20 0.44
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TIPARP Q7Z3E1 1/20 0.44
▸ PARP16 Q8N5Y8 1/20 0.44
▸ PARP12 Q9H0J9 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ PARP4 Q9UKK3 1/20 0.44
▸ PARP3 Q9Y6F1 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11478388 0.86 PARP10 (0.39) PARP10NPC1RAB9AKMT2APARP2
SCHEMBL11347014 0.85 SMN1; SMN2 (0.39) NPC1RAB9AKMT2APARP2PARP15
SCHEMBL11472425 0.84 NPC1 (0.43) NPC1RAB9AKMT2AKDM4EPOLB
SCHEMBL11409809 0.84 TDP1 (0.36) NPC1RAB9AKMT2AKDM4EPKM
SCHEMBL11489038 0.84 PARP15 (0.41) PARP10NPC1RAB9AKMT2APARP2
SCHEMBL11481401 0.84 MCL1 (0.40) PARP10NPC1RAB9AKMT2APARP2
SCHEMBL11351095 0.84 TP53 (0.48) PARP10RAB9AKMT2APARP2PARP15
SCHEMBL11346661 0.82 PDE11A (0.53) NPC1RAB9AKMT2AKDM4EPOLB
SCHEMBL11359829 0.81 PARP10 (0.44) PARP10NPC1RAB9AKMT2APARP2
SCHEMBL11356753 0.81 PDE1B (0.44) NPC1RAB9AKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4232024-A ANTIALLERGENS BOEHRINGER MANNHEIM GMBH (DE) 1980-11-04 — — US claimed
EP-0005154-B1 1-OXO-1H-PYRIMIDO (6,1-B) BENZOTHIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-11-25 — — EP disclosed
EP-0005154-A1 1-Oxo-1H-pyrimido (6,1-b) benzothiazole derivatives, processes for their preparation and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1979-11-14 — — EP disclosed
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