SCHEMBL8631602

SCHEMBL8631602

N#Cc1c(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
KDM1A O60341 2/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
PLEC Q15149 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC7 O00311 3/20 0.42
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL8628554 0.91 PRMT1 (0.41) CDC25ACDC25BKDM1AMAPTMEN1
SCHEMBL8635042 0.91 PDE9A (0.43) CDC25ACDC25BMAPTMEN1LMNA
SCHEMBL8629951 0.89 MAPT (0.43) CDC25ACDC25BKDM1AMAPTMEN1
SCHEMBL8629350 0.89 SMN1; SMN2 (0.46) KDM1AMAPTMEN1LMNAKMT2A
SCHEMBL8633160 0.87 MEN1 (0.43) CDC25ACDC25BKDM1AMAPTMEN1
SCHEMBL8631200 0.84 PTGDR2 (0.48) KDM1AMAPTMEN1LMNAKMT2A
SCHEMBL8631830 0.82 CDC7 (0.44) KDM1AMAPTMEN1LMNAKMT2A
SCHEMBL8628755 0.82 EDNRB (0.44) KDM1AMAPTMEN1LMNAKMT2A
SCHEMBL8634518 0.81 PI4KB (0.42) KDM1A
SCHEMBL8629982 0.81 EDNRB (0.43) KDM1AMAPTMEN1LMNAKMT2A

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