SCHEMBL480228

SCHEMBL480228

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1cncc(-c2ccc(Cl)nn2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.58
MAPK14 Q16539 4/20 0.39
SMO Q99835 4/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP10 Q53GL7 1/20 0.34
FFAR1 O14842 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAOB P27338 1/20 0.34
ADAMTS4 O75173 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
SCHEMBL3000709 0.90 ALOX5AP (0.65) ALOX5APMAPK14SMOCYP1A2CYP3A4
SCHEMBL480478 0.84 ALOX5AP (0.80) ALOX5APMAPK14SMOCYP3A4CYP2C9
SCHEMBL9924148 0.83 ALOX5AP (0.71) ALOX5APMAPK14SMOCYP3A4CYP2C9
SCHEMBL3626552 0.79 ALOX5AP (0.66) ALOX5APMAPK14SMOCYP1A2CYP3A4
SCHEMBL2999380 0.79 ALOX5AP (0.66) ALOX5APMAPK14SMOCYP3A4CYP2C9
SCHEMBL2989772 0.78 ALOX5AP (0.65) ALOX5APMAPK14SMOCYP1A2CYP3A4
SCHEMBL3000899 0.78 ALOX5AP (0.65) ALOX5APMAPK14SMOCYP1A2CYP3A4
SCHEMBL3003688 0.78 ALOX5AP (0.65) ALOX5APMAPK14SMOCYP3A4CYP2C9
SCHEMBL2996699 0.77 ALOX5AP (0.58) ALOX5APMAPK14SMOCYP1A2CYP3A4
SCHEMBL3002644 0.77 ALOX5AP (0.66) ALOX5APMAPK14SMOCYP3A4CYP2C9

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-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed