SCHEMBL8293537

SCHEMBL8293537

N/C(=C1\Nc2ccccc2O1)c1ccnc(NCCc2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.41
▸ CYP1A2 P05177 2/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ APP P05067 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SGK1 O00141 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ RAF1 P04049 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
SCHEMBL8293538 0.91 MAOA (0.36) NPC1RAB9AALDH1A1CCNA2CDK2
SCHEMBL5485013 0.87 SGK1 (0.42) OGACYP1A2PIM1APPHRH3
SCHEMBL5485016 0.87 SGK1 (0.42) OGACYP1A2PIM1APPHRH3
SCHEMBL8291930 0.82 CCNA2 (0.40) OGAHTR2CHTR7HRH3SGK1
SCHEMBL8294110 0.80 KDM4E (0.37) HTR7NPC1RAB9AMEN1KMT2A
SCHEMBL5477975 0.78 SGK1 (0.37) NPC1RAB9ALMNAALDH1A1SGK1
SCHEMBL5477979 0.78 SGK1 (0.37) NPC1RAB9ALMNAALDH1A1SGK1
SCHEMBL8292957 0.77 HRH4 (0.42) ROCK2CCNA2CDK2CCNA1
SCHEMBL8293558 0.77 ALOX5 (0.39) ALDH1A1MAPK8
SCHEMBL8292970 0.76 CDK1 (0.40) LMNAALDH1A1SGK1ROCK2RPS6KA5

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-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 — — WO disclosed
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