SCHEMBL23409134

SCHEMBL23409134

COc1ccc(Cl)cc1C(=O)N1CCC[C@H](CI)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.49
DRD2 P14416 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL23409072 0.90 TSHR (0.53) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL25068885 0.87 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL23409102 0.84 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL13770253 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL3875081 0.82 KMT2A (0.56) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL21511688 0.81 KMT2A (0.49) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL18215407 0.81 GLA (0.61) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL18215303 0.81 GLA (0.61) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL18215370 0.81 GLA (0.61) ALDH1A1KDM4ETSHRPOLBDRD2
SCHEMBL25069181 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRPOLBDRD2

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
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed