SCHEMBL6170123

SCHEMBL6170123

Cc1nc2ccc(CCl)cc2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.58
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
RAB9A P51151 1/20 0.55
SPHK1 Q9NYA1 1/20 0.54
TP53 P04637 2/20 0.49
BRD4 O60885 1/20 0.47
DCTPP1 Q9H773 3/20 0.47
PDE6D O43924 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
DHFR P00374 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP11B2 P19099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6172987 0.88 SPHK1 (0.59) TNFGALR3NR2F2RAB9ASPHK1
SCHEMBL6170384 0.82 HDAC1 (0.57) TNFGALR3NR2F2RAB9ASPHK1
SCHEMBL6168555 0.82 GALR3 (0.52) TNFGALR3NR2F2RAB9ATP53
Hydrochloric Acid SCHEMBL6172792 0.81 GALR3 (0.51) TNFGALR3NR2F2RAB9ATP53
SCHEMBL6172378 0.78 TRPC5 (0.47) TNFGALR3NR2F2RAB9ASPHK1
SCHEMBL3092835 0.78 TNF (0.75) TNFGALR3NR2F2RAB9ATP53
SCHEMBL6168941 0.78 PDE2A (0.56) TNFRAB9ASPHK1HDAC1HDAC6
SCHEMBL15071579 0.77 TNF (0.69) TNFGALR3NR2F2RAB9ATP53
SCHEMBL615476 0.76 TNF (0.68) TNFGALR3NR2F2RAB9ASPHK1
SCHEMBL16756350 0.75 GALR3 (0.43) TNFGALR3NR2F2RAB9ASPHK1

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