SCHEMBL8628706

SCHEMBL8628706

Cc1c(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccccc2)nn1CC#N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM1A O60341 2/20 0.42
TP53 P04637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HSD11B1 P28845 1/20 0.39
NAT1 P18440 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8630036 0.91 SMN1; SMN2 (0.44) MAPTPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL8629951 0.87 MAPT (0.43) MAPTPOLBGAAKDM1APTGDR2
SCHEMBL8632313 0.87 SMN1; SMN2 (0.58) MAPTPOLBGAASMN1; SMN2KDM1A
SCHEMBL8631200 0.86 PTGDR2 (0.48) MAPTPOLBGAASMN1; SMN2KDM1A
SCHEMBL8633218 0.85 EDNRB (0.42) MAPTPOLBGAAKDM1APTGDR2
SCHEMBL8635404 0.85 MAPT (0.41) MAPTPOLBGAAKDM1ATP53
SCHEMBL8631576 0.85 MAPT (0.41) MAPTPOLBGAAKDM1APTGDR2
SCHEMBL8630563 0.83 PRMT1 (0.43) MAPTPOLBGAASMN1; SMN2KDM1A
SCHEMBL8630029 0.83 MEN1 (0.45) MAPTPOLBGAASMN1; SMN2KDM1A
SCHEMBL8632284 0.81 AR (0.40) MAPTPOLBGAAKDM1APTGDR2

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed