SCHEMBL9130328

SCHEMBL9130328

N#Cc1ccc(OCc2ccc(C=Cc3ccncc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP11B1 P15538 1/20 0.45
LCK P06239 1/20 0.44
SMPD1 P17405 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44

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
SCHEMBL9130324 1.00 MAOB (0.55) MAOBCYP4F2CYP4A11RAB9ACYP3A4
SCHEMBL12567363 0.84 MAOB (0.57) MAOBCYP4F2CYP4A11RAB9ACYP3A4
SCHEMBL9129721 0.83 MAOB (0.57) MAOBCYP4F2CYP4A11RAB9ANPC1
SCHEMBL9129723 0.83 MAOB (0.57) MAOBCYP4F2CYP4A11RAB9ANPC1
SCHEMBL9127929 0.83 CYP1A2 (0.54) RAB9ACYP3A4KDM4ENPC1CYP1A2
SCHEMBL9127933 0.83 CYP1A2 (0.54) RAB9ACYP3A4KDM4ENPC1CYP1A2
SCHEMBL9127449 0.83 MAOB (0.60) MAOBCYP4F2CYP4A11RAB9ACYP3A4
SCHEMBL19052376 0.82 TTK (0.54) RAB9ACYP3A4KDM4ENPC1CYP1A2
SCHEMBL9127540 0.82 NPC1 (0.57) MAOBRAB9ACYP3A4KDM4ENPC1
SCHEMBL9126681 0.82 CYP1A2 (0.72) MAOBRAB9ACYP3A4KDM4ENPC1

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
US-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 US disclosed