SCHEMBL6949168

SCHEMBL6949168

O=C(O)c1ccccc1COCc1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RNASEH1 O60930 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
BRS3 P32247 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PARP1 P09874 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL6951916 0.93 DHODH (0.43) DHODHNPC1RAB9ARNASEH1BRD4
Hydrochloric Acid SCHEMBL6953955 0.88 MMP2 (0.45) NPC1RAB9ABRD4CREBBPBRS3
SCHEMBL6949856 0.87 SCN1A (0.42) NPC1RAB9ABRD4CREBBPPARP1
SCHEMBL6953197 0.85 MMP2 (0.44) NPC1RAB9ABRD4CREBBPBRS3
SCHEMBL6948954 0.84 NPC1 (0.55) DHODHNPC1RAB9ARNASEH1BRS3
SCHEMBL6949171 0.82 NPC1 (0.45) NPC1RAB9ARNASEH1BRS3HDAC6
SCHEMBL6953649 0.79 MAPT (0.44) NPC1RAB9ABRD4CREBBPHDAC6
SCHEMBL6953982 0.79 RAB9A (0.58) NPC1RAB9ARNASEH1BRD4CREBBP
SCHEMBL6950091 0.79 DHODH (0.69) DHODHBRS3HDAC6PARP1HDAC1
SCHEMBL6946391 0.78 CHRM1 (0.55) NPC1RAB9ARNASEH1BRD4CREBBP

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