SCHEMBL1964805

SCHEMBL1964805

NC(=O)c1cc(C(F)(F)F)c(-n2c(Nc3c(Cl)cccc3Cl)nc3cc(C(=O)O)ccc32)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.41
CYP2C9 P11712 4/20 0.39
LCK P06239 1/20 0.39
RXRA P19793 1/20 0.38
RORC P51449 2/20 0.37
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.36
STING1 Q86WV6 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAPK10 P53779 1/20 0.36
IDH1 O75874 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
SCHEMBL1966409 0.89 LCK (0.42) LCKRXRARORCHSD17B10CSNK2A2
SCHEMBL1964379 0.86 KIF11 (0.40) KIF11CYP2C9LCKRORCHSD17B10
SCHEMBL1964840 0.81 LCK (0.47) LCKRXRARORCHSD17B10CSNK2A2
SCHEMBL1965510 0.81 HSD17B10 (0.42) LCKRORCHSD17B10CSNK2A2CSNK2B
SCHEMBL1964624 0.81 LCK (0.45) CYP2C9LCKRORCHSD17B10CSNK2A2
SCHEMBL1973510 0.80 HSD17B10 (0.44) LCKRXRARORCHSD17B10CSNK2A2
SCHEMBL1967011 0.79 LCK (0.45) LCKRXRARORCHSD17B10CSNK2A2
SCHEMBL1970564 0.79 LCK (0.41) LCKRORCHSD17B10CSNK2A2CSNK2B
SCHEMBL1967636 0.78 LCK (0.46) LCKRORCHSD17B10CSNK2A2CSNK2B
SCHEMBL1972728 0.78 LCK (0.38) KIF11CYP2C9LCKRXRARORC

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 1 patent. 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