SCHEMBL4741590

SCHEMBL4741590

Cc1nc(-c2ccccc2Cl)sc1C(=O)CCc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MEN1 O00255 1/20 0.40
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN3A Q9NY46 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4739681 0.82 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4737357 0.81 MAPT (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4738885 0.80 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4739616 0.78 ALDH1A1 (0.55) MAPTALDH1A1NPC1KMT2AMEN1
SCHEMBL4740491 0.77 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14146335 0.76 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4738825 0.75 MAPT (0.63) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4738828 0.75 MAPT (0.63) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4740528 0.74 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3418888 0.74 SMN1; SMN2 (0.65) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed