SCHEMBL6172987

SCHEMBL6172987

Cc1nc2ccc(CO)cc2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.59
TNF P01375 1/20 0.57
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 2/20 0.48
DCTPP1 Q9H773 3/20 0.47
BRD4 O60885 1/20 0.47
DHFR P00374 1/20 0.46
PDE6D O43924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
PPARG P37231 2/20 0.44

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
SCHEMBL6170123 0.88 TNF (0.58) SPHK1TNFGALR3NR2F2RAB9A
SCHEMBL6170384 0.84 HDAC1 (0.57) SPHK1TNFGALR3NR2F2RAB9A
SCHEMBL6171309 0.82 GALR3 (0.51) SPHK1TNFGALR3NR2F2RAB9A
SCHEMBL9260111 0.80 TNF (0.77) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL6168941 0.79 PDE2A (0.56) SPHK1TNFRAB9AHDAC1HDAC6
SCHEMBL6172378 0.77 TRPC5 (0.47) SPHK1TNFGALR3NR2F2RAB9A
SCHEMBL3100051 0.77 TNF (0.70) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL15071579 0.76 TNF (0.69) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL615476 0.75 TNF (0.68) SPHK1TNFGALR3NR2F2RAB9A
SCHEMBL1160341 0.75 HDAC1 (0.55) SPHK1HDAC1HDAC6ALDH1A1PPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6369092-B1 Method for treating neoplasia by exposure to substituted benzimidazole derivatives CELL PATHWAYS, INC. 2002-04-09 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed