SCHEMBL20007693

SCHEMBL20007693

O=S(=O)(c1ccc(Br)cn1)N1CC[C@](O)(CO)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.41
RBP1 P09455 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR3 P49682 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
NEK2 P51955 1/20 0.32
PLK1 P53350 1/20 0.32
NEK7 Q8TDX7 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
SCHEMBL23613990 1.00 TRPV4 (0.41) TRPV4RBP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL20007310 0.83 TRPV4 (0.49) TRPV4
SCHEMBL20007811 0.83 TRPV4 (0.41) TRPV4RBP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL20007244 0.83 TRPV4 (0.46) TRPV4POLBCXCR3
SCHEMBL20007241 0.79 HTR2A (0.39) TRPV4RBP1SMN1; SMN2ALDH1A1POLB
SCHEMBL20007647 0.77 RBP1 (0.39) RBP1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL20003572 0.75 TRPV4 (0.50) TRPV4RBP1MEN1KMT2A
SCHEMBL23614038 0.73 RBP1 (0.36) RBP1SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL20007703 0.73 TRPV4 (0.43) TRPV4RBP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL20007441 0.73 POLB (0.56) TRPV4SMN1; SMN2ALDH1A1POLBMEN1

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