SCHEMBL14390892

SCHEMBL14390892

Nc1c(-c2ccoc2)cc(-c2cccs2)nc1OCc1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35

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
SCHEMBL14390900 0.92 MRGPRX4 (0.41) ALOX5APFEN1GSTM2MRGPRX4
SCHEMBL3635397 0.88 KDM4E (0.44) GSTM2PDE4APDE4BPDE4CPDE4D
SCHEMBL14392313 0.87 ALDH1A1 (0.34) —
SCHEMBL3592409 0.80 CYP2C19 (0.49) ALOX5APFEN1MRGPRX4
SCHEMBL14390696 0.79 MEN1 (0.36) LMNA
SCHEMBL14392510 0.79 ALDH1A1 (0.39) LMNA
SCHEMBL14390693 0.78 ACMSD (0.46) ALOX5APFEN1MRGPRX4
SCHEMBL14390996 0.77 ADORA2A (0.39) ALOX5APFEN1LMNA
SCHEMBL14391095 0.76 GAA (0.39) —
SCHEMBL14391001 0.75 ADORA2A (0.47) —

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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