SCHEMBL1964379

SCHEMBL1964379

NC(=O)c1ccc(-n2c(Nc3c(Cl)cccc3Cl)nc3cc(C(=O)O)ccc32)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LCK P06239 1/20 0.39
RORC P51449 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 5/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.36
NOTUM Q6P988 1/20 0.36
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36

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
SCHEMBL1965510 0.89 HSD17B10 (0.42) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1964805 0.86 KIF11 (0.41) KIF11HSD17B10LCKRORCCYP2C9
SCHEMBL2361962 0.82 RORC (0.41) THRBHSD17B10RORCSMN1; SMN2CYP2C9
SCHEMBL1973510 0.80 HSD17B10 (0.44) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1966409 0.79 LCK (0.42) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1970564 0.79 LCK (0.41) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1967727 0.79 LCK (0.56) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1967636 0.78 LCK (0.46) THRBHSD17B10LCKRORCSMN1; SMN2
SCHEMBL1972728 0.78 LCK (0.38) KIF11THRBHSD17B10LCKRORC
SCHEMBL1964840 0.78 LCK (0.47) THRBHSD17B10LCKRORCSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed