SCHEMBL20007441

SCHEMBL20007441

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALDH1A1 P00352 6/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 1/20 0.43
TRPV4 Q9HBA0 3/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20007241 0.85 HTR2A (0.39) POLBALDH1A1CYP2D6SMN1; SMN2TRPV4
SCHEMBL20007247 0.84 TRPV4 (0.46) TRPV4NAMPT
SCHEMBL23613847 0.82 TRPV4 (0.57) TRPV4NAMPTGAA
SCHEMBL24025448 0.79 POLB (0.65) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2
SCHEMBL24058307 0.79 POLB (0.61) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2
SCHEMBL20007703 0.78 TRPV4 (0.43) ALDH1A1SMN1; SMN2TRPV4LMNAHTT
SCHEMBL24025485 0.76 POLB (0.60) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2
SCHEMBL24025476 0.76 POLB (0.60) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2
SCHEMBL29693770 0.75 POLB (0.59) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2
SCHEMBL29693719 0.75 POLB (0.71) POLBALDH1A1CYP2D6CHRM1SMN1; SMN2

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