SCHEMBL8633047

SCHEMBL8633047

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CCN(C)C)c2C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PTGS2 P35354 2/20 0.38
TP53 P04637 1/20 0.38
NMT1 P30419 5/20 0.37
HTR6 P50406 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8635104 0.89 PPARA (0.39) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8629750 0.88 MAPT (0.46) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8629730 0.88 MAPT (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8629560 0.88 PTGS2 (0.49) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8635365 0.88 MAPT (0.44) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8631961 0.88 PTGS2 (0.38) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8628055 0.87 MAPT (0.40) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8630525 0.86 CCR4 (0.41) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8631938 0.85 ALDH1A1 (0.41) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL8631851 0.85 MAPT (0.39) MAPTALDH1A1TSHRMEN1KMT2A

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