SCHEMBL8632871

SCHEMBL8632871

Cc1ccccc1-c1c(NS(=O)(=O)c2ccccc2)nn(Cc2ccccc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 3/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36
CDC7 O00311 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL8630200 0.89 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8630170 0.86 CDC7 (0.43) MAPTKMT2APTGDR2SMN1; SMN2ALDH1A1
SCHEMBL8631097 0.86 PTGS2 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8633150 0.86 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629408 0.86 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629928 0.85 PTGS2 (0.43) MAPTMEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL8629100 0.85 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631755 0.85 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8632849 0.84 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8630525 0.83 CCR4 (0.41) MAPTMEN1KMT2APTGDR2SMN1; SMN2

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