SCHEMBL24318145

SCHEMBL24318145

CCc1c[nH]c([C@H](Cc2ccc(N[SH](=O)=O)cc2)NC(=O)Cc2ccc(F)c(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 14/20 0.53
CACNA1H O95180 3/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL23770076 0.88 PTPRB (0.50) PTPRBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24319129 0.86 PTPRB (0.55) PTPRBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19775180 0.83 PTPRB (0.77) PTPRB
SCHEMBL24767156 0.81 PTPRB (0.51) PTPRBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23769990 0.80 PTPRB (0.56) PTPRB
SCHEMBL24318149 0.79 PTPRB (0.45) PTPRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24319135 0.79 PTPRB (0.56) PTPRBMEN1KMT2ARAB9A
SCHEMBL24767305 0.77 PTPRB (0.49) PTPRB
SCHEMBL23770161 0.76 PTPRB (0.53) PTPRB
SCHEMBL24318259 0.74 PTPRB (0.68) PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3977994-A1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE Aerpio Pharmaceuticals, Inc. (US) 2022-04-06 EP disclosed