SCHEMBL6953202

SCHEMBL6953202

COC(=O)c1cccc(COCc2cccc3nc(CCc4ccccc4)[nH]c23)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
PLA2G2A P14555 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NTRK1 P04629 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 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
Hydrochloric Acid SCHEMBL6953964 0.93 MMP2 (0.45) MMP2PLA2G2AMAPTALDH1A1NTRK1
SCHEMBL6951919 0.85 NPC1 (0.43) NTRK1PDE4APDE4BPDE4CPDE4D
SCHEMBL6949171 0.85 NPC1 (0.45) NTRK1PDE4APDE4BPDE4CPDE4D
SCHEMBL6953197 0.84 MMP2 (0.44) MMP2PLA2G2AMAPTALDH1A1CYP1A2
SCHEMBL6949863 0.84 SCN1A (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6953656 0.78 MAPT (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6953955 0.77 MMP2 (0.45) MMP2PLA2G2AMAPTALDH1A1CYP1A2
SCHEMBL10360805 0.76 KDM4E (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6946613 0.76 MMP2 (0.50) MMP2PLA2G2AMAPTALDH1A1NTRK1
SCHEMBL6948946 0.76 NPC1 (0.46) MMP2MAPTALDH1A1NTRK1PDE4A

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