SCHEMBL6953197

SCHEMBL6953197

COC(=O)c1cccc(COCc2cccc3[nH]c(CCc4ccccc4)nc23)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RIPK1 Q13546 2/20 0.40

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 SCHEMBL6953955 0.93 MMP2 (0.45) MMP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6951916 0.85 DHODH (0.43) BRD4CREBBPNPC1RAB9APARP1
SCHEMBL6949168 0.85 DHODH (0.45) BRD4CREBBPNPC1RAB9APARP1
SCHEMBL6949856 0.84 SCN1A (0.42) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL6953202 0.84 MMP2 (0.44) MMP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6953199 0.80 MMP2 (0.45) MMP2BRD4CREBBPNPC1RAB9A
SCHEMBL6953649 0.78 MAPT (0.44) ALDH1A1MAPTBRD4CREBBPNPC1
Hydrochloric Acid SCHEMBL6953964 0.77 MMP2 (0.45) MMP2ALDH1A1MAPTNPC1RAB9A
SCHEMBL10360805 0.76 KDM4E (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL6953962 0.76 MMP2 (0.47) MMP2BRD4CREBBPNPC1RAB9A

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