SCHEMBL3392392

SCHEMBL3392392

O=C(O)Nc1ccc(COc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPIA P62937 4/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LTA4H P09960 1/20 0.47
SGMS2 Q8NHU3 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
SCHEMBL3388784 0.81 CYP17A1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL10055039 0.80 NPC1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL17831084 0.80 KMT2A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1750737 0.80 NR4A2 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL29816629 0.79 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL223680 0.79 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL3388031 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL9975274 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL16188933 0.78 FFAR1 (0.65) NPC1ALDH1A1CYP2D6CYP2C19
Formaldehyde SCHEMBL29285221 0.77 CYP2C19 (0.56) NPC1ALDH1A1CYP2D6CYP2C19LMNA

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-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO disclosed