SCHEMBL14009616

SCHEMBL14009616

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=N)/C=N\NC[C@@H]2CCNC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ REN P00797 1/20 0.32
▸ SMO Q99835 5/20 0.31
▸ MAPK14 Q16539 4/20 0.31

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
SCHEMBL2986509 0.75 ALOX5 (0.46) ALOX5PARP10SMOMAPK14
SCHEMBL3002712 0.73 PARP10 (0.48) PARP10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2986838 0.73 MAP4K3 (0.37) ALOX5HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL13248437 0.73 MAP4K3 (0.37) ALOX5HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2989774 0.71 PARP10 (0.50) ALOX5PARP10HPGDSMOMAPK14
SCHEMBL14642258 0.70 PARP10 (0.51) PARP10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2246968 0.70 NPC1 (0.41) ALOX5PARP10HPGDSMN1; SMN2MAOB
SCHEMBL12356701 0.70 PARP10 (0.55) PARP10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2250280 0.70 PARP10 (0.55) PARP10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2251349 0.69 PARP10 (0.57) ALOX5PARP10HPGDKDM4EALDH1A1

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
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
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