SCHEMBL4711319

SCHEMBL4711319

CNC(CCN)Cc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.49
KCNH2 Q12809 7/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 2/20 0.45

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
SCHEMBL4709303 0.78 LTA4H (0.52) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL4692982 0.78 LTA4H (0.64) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL22224242 0.78 LTA4H (0.62) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL4693439 0.78 LTA4H (0.51) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2170240 0.77 LTA4H (0.62) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL4708073 0.77 LTA4H (0.58) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL22224212 0.75 LTA4H (0.58) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL4693064 0.75 LTA4H (0.52) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2169641 0.75 LTA4H (0.62) LTA4HKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL11471037 0.74 CYP1A2 (0.73) LTA4HKCNH2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660491-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed