SCHEMBL5576227

SCHEMBL5576227

NCCSc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
PNMT P11086 1/20 0.41
KIF11 P52732 2/20 0.41
PRMT1 Q99873 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL30753726 0.86 LMNA (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Acetic Acid Methyl Ester SCHEMBL926276 0.82 GAA (0.46) RAB9ASMN1; SMN2LMNANPC1GAA
SCHEMBL11028082 0.82 PNMT (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10144132 0.78 PTGS2 (0.47) RAB9ASMN1; SMN2LMNANPC1GAA
SCHEMBL7058662 0.77 MEN1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2655184 0.77 DHFR (0.41) RAB9ASMN1; SMN2LMNANPC1GAA
SCHEMBL1436075 0.77 CYP2D6 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7247115 0.77 SOD1 (0.40) RAB9ASMN1; SMN2LMNANPC1PRMT1
SCHEMBL11200775 0.77 ITGB2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10986918 0.77 LMNA (0.45) RAB9ASMN1; SMN2LMNANPC1PNMT

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-1742918-A1 LXR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2007-01-17 EP disclosed
WO-2005121093-A1 LXR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2005-12-22 WO disclosed