SCHEMBL23614005

SCHEMBL23614005

N#Cc1ncccc1SN1CCC(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.37
USP30 Q70CQ3 1/20 0.35
ELANE P08246 3/20 0.34
TRPV4 Q9HBA0 1/20 0.33
VNN1 O95497 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LTA4H P09960 1/20 0.33
P2RX7 Q99572 1/20 0.32
SCD O00767 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP11B1 P15538 1/20 0.32
GRM1 Q13255 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 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
SCHEMBL20007281 0.72 TRPV4 (0.52) TRPV4CYP3A4
SCHEMBL24056578 0.69 AR (0.38) ELANECYP11B1GRM1
SCHEMBL23613888 0.68 CHRM4 (0.37) USP30TRPV4
SCHEMBL24056594 0.67 AR (0.37) ELANECYP11B1
SCHEMBL24056591 0.67 AR (0.40) ELANECYP11B1
SCHEMBL24058142 0.65 MAOA (0.42) ELANECYP11B1
SCHEMBL24057981 0.65 MAOA (0.39) ELANECYP11B1
SCHEMBL23613926 0.64 DDB1 (0.36) CYP3A4KDM4E
SCHEMBL6953445 0.62 GRM5 (0.42) CYP11B1CYP3A4CYP2D6
SCHEMBL7365422 0.62 HPGD (0.40) CYP11B1CYP3A4CYP2D6KDM4E

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-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed