SCHEMBL6951908

SCHEMBL6951908

COC(c1cccc(C(=O)O)c1C(=O)O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MMP2 P08253 1/20 0.39
BRS3 P32247 5/20 0.39
PARP1 P09874 2/20 0.39
DHODH Q02127 2/20 0.39
RNASEH1 O60930 1/20 0.38
NTRK1 P04629 1/20 0.37
GAA P10253 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6949160 0.93 BRD4 (0.43) BRD4CREBBPNPC1RAB9AMMP2
SCHEMBL6953199 0.88 MMP2 (0.45) BRD4CREBBPNPC1RAB9AMMP2
Hydrochloric Acid SCHEMBL6953962 0.86 MMP2 (0.47) BRD4CREBBPNPC1RAB9AMMP2
SCHEMBL6949858 0.84 CHEK1 (0.41) BRD4CREBBPNPC1RAB9AMMP2
SCHEMBL6948954 0.79 NPC1 (0.55) NPC1RAB9ABRS3PARP1DHODH
SCHEMBL6951916 0.77 DHODH (0.43) BRD4CREBBPNPC1RAB9ABRS3
SCHEMBL6953650 0.77 PARP1 (0.44) BRD4CREBBPNPC1RAB9AMMP2
SCHEMBL6951750 0.77 BRS3 (0.42) BRD4CREBBPNPC1RAB9ABRS3
SCHEMBL6952443 0.75 BRD4 (0.46) BRD4CREBBPNPC1RAB9AMMP2
SCHEMBL6943101 0.75 RAB9A (0.50) BRD4CREBBPNPC1RAB9ARNASEH1

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