SCHEMBL14510141

SCHEMBL14510141

N=C(N)SCc1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP2C9 P11712 3/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ IDO1 P14902 4/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ FAAH O00519 1/20 0.41

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
SCHEMBL14510142 0.82 LOXL2 (0.57) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23906434 0.82 GAA (0.52) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL4905806 0.78 LOXL2 (0.64) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL5396501 0.78 GAA (0.59) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL11328951 0.77 GAA (0.63) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL5401038 0.75 GAA (0.59) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL22042996 0.75 GAA (0.59) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL5759355 0.75 GAA (0.59) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL30612619 0.75 GAA (0.59) GAAL3MBTL1CYP2C9CYP1A2CYP3A4
SCHEMBL11336489 0.74 AKR1B1 (0.61) GAAL3MBTL1KDM4EAKR1B1LIPG

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
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 — — US disclosed
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 — — US disclosed
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