SCHEMBL4054516

SCHEMBL4054516

Cc1ccc(-c2cc(C(=O)NC(C)C(C)O)cc(C3(C(F)(F)F)N=NN=N3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
AKR1C3 P42330 1/20 0.34

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
SCHEMBL3658322 0.81 DHODH (0.44) KIF11
SCHEMBL3655842 0.80 KIF11 (0.41) KIF11
SCHEMBL24386393 0.68 HPGD (0.61)
SCHEMBL30810730 0.66 KIF11 (0.53) KIF11
SCHEMBL3660215 0.66 P2RX3 (0.59)
SCHEMBL3660070 0.66 DHODH (0.45)
SCHEMBL19407439 0.65 MLYCD (0.58) KIF11
SCHEMBL10243692 0.65 P2RX3 (0.69)
SCHEMBL3660906 0.64 DHODH (0.43) AKR1C3
SCHEMBL3657018 0.63 DHODH (0.48)

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-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed