SCHEMBL8632376

SCHEMBL8632376

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CC#N)c2C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD11B1 P28845 1/20 0.36
SCN9A Q15858 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
PTGS2 P35354 3/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
CCR4 P51679 1/20 0.34
TRIM24 O15164 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34

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
SCHEMBL8632158 0.91 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629750 0.89 MAPT (0.46) MAPTMEN1KMT2ASCN9ASMN1; SMN2
SCHEMBL8631722 0.89 PPARA (0.41) SCN9APTGS2
SCHEMBL8632202 0.88 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8630525 0.87 CCR4 (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8630859 0.87 PTGS2 (0.44) MAPTMEN1KMT2AKDM4EPTGS2
SCHEMBL8628839 0.86 EDNRB (0.41) MAPTMEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL8628753 0.85 PTGS2 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8633047 0.85 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631961 0.85 PTGS2 (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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