SCHEMBL8346713

SCHEMBL8346713

O=C(O)COc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.47
▸ PDE2A O00408 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ P2RY12 Q9H244 1/20 0.44
▸ MCL1 Q07820 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL8346380 0.86 GAA (0.50) F10PDE3BPDE3AP2RY12KDM4E
SCHEMBL4687144 0.85 F10 (0.40) F10KMT2AKDM4EALDH1A1HPGD
SCHEMBL27624772 0.81 F10 (0.41) F10PDE3BPDE3AKDM4EALDH1A1
SCHEMBL3861744 0.80 F10 (0.47) F10KMT2AKDM4EALDH1A1HPGD
SCHEMBL13759438 0.80 F10 (0.43) F10HDAC6
SCHEMBL27605913 0.79 CA2 (0.46) F10KDM4EALDH1A1HPGDTP53
SCHEMBL3863014 0.78 CSNK2A2 (0.49) F10KMT2AKDM4EALDH1A1HPGD
SCHEMBL3865007 0.76 F10 (0.40) F10KMT2AKDM4EALDH1A1MEN1
SCHEMBL3873919 0.76 PDE2A (0.45) F10PDE2APDE3BPDE3AP2RY12
SCHEMBL3867572 0.75 F10 (0.58) F10MAPTTP53LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
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