SCHEMBL24318149

SCHEMBL24318149

CCc1c[nH]c([C@H](Cc2ccc(N[SH](=O)=O)cc2)NC(=O)CCc2cccc(C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 11/20 0.45
F11 P03951 1/20 0.41
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
CDK8 P49336 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23769990 0.91 PTPRB (0.56) PTPRBF11CDK8
SCHEMBL24767156 0.90 PTPRB (0.51) PTPRBF11KMT2ACYP1A2CYP3A4
SCHEMBL24319135 0.89 PTPRB (0.56) PTPRBF11MEN1ALDH1A1KMT2A
SCHEMBL23770076 0.83 PTPRB (0.50) PTPRBMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL24767308 0.83 ALDH1A1 (0.36) PTPRBALDH1A1
SCHEMBL24318145 0.79 PTPRB (0.53) PTPRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL24319129 0.78 PTPRB (0.55) PTPRBMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL24767257 0.77 PTPRB (0.69) PTPRB
SCHEMBL23770301 0.77 PTPRB (0.73) PTPRB
SCHEMBL23770161 0.77 PTPRB (0.53) 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