SCHEMBL20007241

SCHEMBL20007241

O=S(=O)(c1ccc(Br)nc1)N1CC[C@](O)(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RBP1 P09455 1/20 0.36

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
SCHEMBL20007441 0.85 POLB (0.56) ALDH1A1SMN1; SMN2TRPV4GAAPOLB
SCHEMBL20007247 0.84 TRPV4 (0.46) HTR2ATRPV4
SCHEMBL23613847 0.82 TRPV4 (0.57) HTR2ATRPV4GAAKDM4E
SCHEMBL20007703 0.80 TRPV4 (0.43) HTR2AALDH1A1SMN1; SMN2TRPV4GAA
SCHEMBL20007693 0.79 TRPV4 (0.41) ALDH1A1SMN1; SMN2TRPV4POLBMEN1
SCHEMBL23613990 0.79 TRPV4 (0.41) ALDH1A1SMN1; SMN2TRPV4POLBMEN1
SCHEMBL23613906 0.73 TRPV4 (0.44) HTR2ATRPV4GAAKDM4E
SCHEMBL23613908 0.73 TRPV4 (0.44) HTR2ATRPV4GAAKDM4E
SCHEMBL23613972 0.72 HTR2A (0.41) HTR2AALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL23614038 0.72 RBP1 (0.36) ALDH1A1SMN1; SMN2GAAPOLBKMT2A

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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed