SCHEMBL8630980

SCHEMBL8630980

C#CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)cc2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.38
PTGS2 P35354 3/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FPR1 P21462 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL8631537 0.93 EDNRB (0.41) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8628674 0.91 PTGS2 (0.44) KMT2AMAPTMEN1KDM4EPTGS2
SCHEMBL8630567 0.90 EDNRB (0.41) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8632202 0.90 MAPT (0.39) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8629114 0.89 ALDH1A1 (0.36) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8631944 0.89 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL8632158 0.88 MAPT (0.38) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8630021 0.88 SMN1; SMN2 (0.49) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8633150 0.86 MAPT (0.41) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8629928 0.86 PTGS2 (0.43) KMT2AMAPTMEN1KDM4EALDH1A1

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