SCHEMBL5225289

SCHEMBL5225289

CC(C)(C)Cc1nc(N)sc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.38
COPS5 Q92905 4/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.35
FBP1 P09467 2/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL1539908 0.80 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2COPS5MAPT
SCHEMBL3098533 0.80 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2MAPTHSD17B10
SCHEMBL5221270 0.79 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2COPS5MAPT
SCHEMBL3618179 0.78 ALDH1A1 (0.42) ALDH1A1HPGDCYP1A2COPS5MAPT
SCHEMBL27821918 0.76 GABRP (0.50) ALDH1A1HPGDCYP1A2MAPTHSD17B10
SCHEMBL11338473 0.75 GABRP (0.45) ALDH1A1HPGDCYP1A2MAPTHSD17B10
SCHEMBL10585559 0.72 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2COPS5MAPT
SCHEMBL25916483 0.72 NOS1 (0.46) ALDH1A1HPGDCYP1A2MAPTHSD17B10
SCHEMBL4998220 0.70 GFER (0.43) ALDH1A1HPGDCYP1A2COPS5MAPT
SCHEMBL3585289 0.70 SMN1; SMN2 (0.47) ALDH1A1HPGDCYP1A2COPS5MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
EP-1525193-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-04-27 EP disclosed
WO-2004009565-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-01-29 WO disclosed