SCHEMBL6953199

SCHEMBL6953199

COC(=O)c1cccc(C(OC)c2cccc3[nH]c(CCc4ccccc4)nc23)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
PARP1 P09874 2/20 0.40
BRS3 P32247 1/20 0.39
RIPK1 Q13546 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
NTRK1 P04629 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PLA2G2A P14555 3/20 0.36

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
Hydrochloric Acid SCHEMBL6953962 0.92 MMP2 (0.47) MMP2BRD4CREBBPPARP1BRS3
SCHEMBL6951908 0.88 BRD4 (0.41) MMP2BRD4CREBBPPARP1BRS3
SCHEMBL6949160 0.87 BRD4 (0.43) MMP2BRD4CREBBPPARP1BRS3
SCHEMBL6949858 0.85 CHEK1 (0.41) MMP2BRD4CREBBPPARP1NPC1
SCHEMBL6953197 0.80 MMP2 (0.44) MMP2BRD4CREBBPPARP1BRS3
SCHEMBL6953650 0.77 PARP1 (0.44) MMP2BRD4CREBBPPARP1NPC1
SCHEMBL6952443 0.76 BRD4 (0.46) MMP2BRD4CREBBPPARP1NPC1
Hydrochloric Acid SCHEMBL6953955 0.75 MMP2 (0.45) MMP2BRD4CREBBPPARP1BRS3
SCHEMBL6946608 0.74 CREBBP (0.50) MMP2BRD4CREBBPNPC1RAB9A
SCHEMBL6948942 0.74 BRD4 (0.50) MMP2BRD4CREBBPPARP1RIPK1

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
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed