SCHEMBL4693949

SCHEMBL4693949

CCC(CCc1ccc(Oc2nc3ccccc3s2)cc1)N(C)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.52
KCNH2 Q12809 11/20 0.52
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Hydrazine SCHEMBL4997811 0.80 LTA4H (0.54) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2170482 0.79 LTA4H (0.59) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL22224238 0.79 LTA4H (0.56) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4967382 0.78 LTA4H (0.55) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL5001617 0.78 LTA4H (0.43) LTA4HKCNH2
SCHEMBL4998292 0.78 LTA4H (0.42) LTA4HKCNH2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL4693394 0.78 LTA4H (0.53) LTA4HKCNH2EPHX2
SCHEMBL6407613 0.77 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL2168329 0.77 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL22224212 0.76 LTA4H (0.58) LTA4HKCNH2EPHX2CYP1A2CYP3A4

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-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed