SCHEMBL7675982

SCHEMBL7675982

CCCc1nc2ccc(C(=O)NC)cc2n1Cc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
PTGES O14684 1/20 0.55
TP53 P04637 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
AGTR1 P30556 3/20 0.51
AGTR2 P50052 2/20 0.51
PPARG P37231 6/20 0.50
ACSS2 Q9NR19 1/20 0.49
ESR2 Q92731 1/20 0.47
TNF P01375 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47

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
SCHEMBL7676720 0.94 TDP1 (0.55) TDP1PTGESTP53ALDH1A1HPGD
SCHEMBL7673926 0.92 TDP1 (0.62) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL7674883 0.89 TDP1 (0.54) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL6170472 0.89 PTGES (0.62) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL6170375 0.89 AGTR1 (0.62) TDP1PTGESTP53AGTR1AGTR2
SCHEMBL7671121 0.89 AGTR1 (0.54) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL6170532 0.88 AGTR1 (0.55) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL6170528 0.85 TP53 (0.55) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL7668569 0.85 TDP1 (0.52) TDP1PTGESTP53ALDH1A1MAPT
SCHEMBL7674177 0.84 PDE2A (0.55) TDP1PTGESTP53ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP 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