SCHEMBL8630563

SCHEMBL8630563

Cc1c(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccccc2)nn1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 1/20 0.42
TP53 P04637 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NMT1 P30419 1/20 0.41
BACE1 P56817 1/20 0.40
MAPT P10636 4/20 0.40
MYLK Q15746 1/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 2/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8631588 0.91 GAA (0.47) SMN1; SMN2GAAALDH1A1NMT1MAPT
SCHEMBL8631200 0.90 PTGDR2 (0.48) SMN1; SMN2KDM1ATP53PTGDR2GAA
SCHEMBL8632313 0.87 SMN1; SMN2 (0.58) SMN1; SMN2KDM1ATP53PTGDR2GAA
SCHEMBL8631666 0.85 EDNRB (0.42) PRMT1KDM1ATP53PTGDR2GAA
SCHEMBL8627773 0.85 PRMT1 (0.42) PRMT1KDM1ATP53PTGDR2GAA
SCHEMBL8628554 0.85 PRMT1 (0.41) PRMT1SMN1; SMN2KDM1ATP53PTGDR2
SCHEMBL8628706 0.83 MAPT (0.44) SMN1; SMN2KDM1ATP53PTGDR2GAA
SCHEMBL8630029 0.83 MEN1 (0.45) SMN1; SMN2KDM1ATP53PTGDR2GAA
SCHEMBL8630962 0.83 PTGS2 (0.44) PRMT1KDM1ATP53PTGDR2GAA
SCHEMBL8631648 0.83 AR (0.41) PRMT1KDM1ATP53PTGDR2GAA

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