SCHEMBL9492132

SCHEMBL9492132

ONC1CCCc2cc(OCc3ccccn3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
SCN3A Q9NY46 2/20 0.46
CD274 Q9NZQ7 1/20 0.43
ALOX5AP P20292 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IGF1R P08069 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TAOK1 Q7L7X3 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL9487573 0.83 TAOK1 (0.53) HRH3SCN3ACD274NPC1RAB9A
SCHEMBL9490780 0.83 CYSLTR1 (0.50) ALOX5AP
SCHEMBL9492340 0.80 GAA (0.48) SCN3ACD274KDM4EALDH1A1GAA
SCHEMBL9490891 0.77 ALDH1A1 (0.50) SCN3AALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL9490621 0.77 MAOB (0.52) SCN3AALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL9491558 0.77 PARP10 (0.46) HRH3SCN3APARP10
SCHEMBL17712567 0.76 NPC1 (0.55) HRH3ALOX5APPARP10KDM4EALDH1A1
SCHEMBL9488808 0.76 LIPG (0.57) HRH3SCN3AMAPT
SCHEMBL9489556 0.75 TAOK1 (0.48) HRH3SCN3ACD274ALDH1A1TAS1R3
SCHEMBL19366283 0.75 HRH3 (0.51) HRH3ALOX5APPARP10KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed