SCHEMBL8628055

SCHEMBL8628055

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCN(C)C)c2C(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 4/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
BRPF3 Q9ULD4 1/20 0.37
TP53 P04637 1/20 0.36
ACLY P53396 3/20 0.36
PPARA Q07869 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 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
SCHEMBL8635104 0.92 PPARA (0.39) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8629955 0.89 MAPT (0.46) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8634282 0.88 EDNRA (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8633047 0.87 MAPT (0.40) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8630041 0.87 CCR4 (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8631639 0.87 KMT2A (0.41) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8634385 0.86 ACLY (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8629730 0.86 MAPT (0.45) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8627950 0.85 MAPT (0.38) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8635365 0.85 MAPT (0.44) MAPTMEN1KMT2AALDH1A1TSHR

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