SCHEMBL5485714

SCHEMBL5485714

NC(=O)c1cccnc1-c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SYK P43405 5/20 0.49
▸ AURKB Q96GD4 3/20 0.49
▸ INCENP Q9NQS7 3/20 0.49
▸ PDE10A Q9Y233 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ ALOX5AP P20292 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ MAPK14 Q16539 3/20 0.44
▸ SMO Q99835 3/20 0.44
▸ BTK Q06187 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL27999916 0.81 PARP10 (0.51) PARP10KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL21807964 0.80 RAB9A (0.52) PARP10KDM4EALDH1A1BTK
SCHEMBL30108238 0.80 RAB9A (0.52) PARP10KDM4EALDH1A1BTK
SCHEMBL6682997 0.79 PARP10 (1.00) PARP10KDM4EALDH1A1SMN1; SMN2MAPK14
SCHEMBL30108233 0.77 PARP1 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL29916420 0.77 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2SYKCYP3A4
SCHEMBL945856 0.77 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2SYKCYP3A4
SCHEMBL3757098 0.76 PARP10 (0.60) PARP10KDM4ESMN1; SMN2CYP3A4
SCHEMBL31255319 0.76 PARP10 (0.60) PARP10KDM4EALDH1A1SMN1; SMN2SYK
SCHEMBL15391762 0.75 TRPV1 (0.53) KDM4EALDH1A1DHODH

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 — — WO disclosed
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