SCHEMBL8632202

SCHEMBL8632202

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CC#N)c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NPY5R Q15761 1/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 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

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
SCHEMBL8628839 0.93 EDNRB (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8630859 0.91 PTGS2 (0.44) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8631576 0.90 MAPT (0.41) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8630980 0.90 KMT2A (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8629104 0.89 ALDH1A1 (0.36) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8631393 0.89 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8632376 0.88 MAPT (0.38) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8630021 0.88 SMN1; SMN2 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8630036 0.86 SMN1; SMN2 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8629408 0.86 MAPT (0.41) MAPTMEN1KMT2AKDM4EALDH1A1

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