SCHEMBL480238

SCHEMBL480238

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cnnc(Cl)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.65
ADAMTS4 O75173 1/20 0.39
PDE10A Q9Y233 1/20 0.36
SYK P43405 5/20 0.35
MAPK14 Q16539 2/20 0.35
SMO Q99835 2/20 0.35
PPARG P37231 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL480478 0.84 ALOX5AP (0.80) ALOX5APADAMTS4PDE10ASYKMAPK14
SCHEMBL9924148 0.81 ALOX5AP (0.71) ALOX5APADAMTS4PDE10ASYKMAPK14
SCHEMBL14275821 0.79 ALOX5AP (0.66) ALOX5APADAMTS4SYKMAPK14SMO
SCHEMBL480305 0.79 ALOX5AP (0.69) ALOX5APADAMTS4SYKMAPK14SMO
SCHEMBL480273 0.79 ALOX5AP (1.00) ALOX5APADAMTS4MAPK14SMOKDM4E
SCHEMBL3001136 0.78 ALOX5AP (0.60) ALOX5APADAMTS4PDE10ASYKMAPK14
SCHEMBL9924109 0.77 ALOX5AP (0.63) ALOX5APADAMTS4SYKKDM4EALDH1A1
SCHEMBL480223 0.77 ALOX5AP (0.79) ALOX5APADAMTS4MAPK14SMOCYP2C9
SCHEMBL480209 0.77 ALOX5AP (0.63) ALOX5APADAMTS4SYKKDM4EALDH1A1
SCHEMBL13262236 0.77 ALOX5AP (0.66) ALOX5APADAMTS4KDM4EALDH1A1SMN1; SMN2

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