SCHEMBL4753464

SCHEMBL4753464

N#Cc1cc(OCc2ccccc2)ccc1F

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.74
IMPDH2 P12268 1/20 0.57
MAOA P21397 1/20 0.54
ALOX5 P09917 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.49
AS3MT Q9HBK9 2/20 0.48
NSD2 O96028 1/20 0.48
PLA2G7 Q13093 3/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL427002 0.88 MAOB (0.74) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL3648539 0.85 MAOB (1.00) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL188284 0.85 MAOB (0.55) MAOBMAOAPLA2G7
SCHEMBL1154814 0.83 MAOB (0.58) MAOBMRGPRX4
SCHEMBL12595375 0.82 GSTP1 (0.54) MAOBIMPDH2MAOA
SCHEMBL12988062 0.81 MAOB (0.74) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL30507471 0.81 MAOB (0.74) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL15770508 0.81 MAOB (0.74) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL627370 0.81 MAOB (0.74) MAOBIMPDH2MAOAALOX5MRGPRX4
SCHEMBL15817 0.80 ALOX5 (0.61) MAOBMAOAALOX5LMNACYP1A2

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed