SCHEMBL8635116

SCHEMBL8635116

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
PPARG P37231 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NPY5R Q15761 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
SNCA P37840 1/20 0.38
STAT3 P40763 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GGT1 P19440 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8627799 0.90 PTGS2 (0.49) PTGS2KMT2AMAPTSMN1; SMN2PPARG
SCHEMBL8631337 0.89 PTGS2 (0.50) PTGS2KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL8631550 0.88 PTGS2 (0.58) PTGS2KMT2AMAPTPOLBMEN1
SCHEMBL8634609 0.88 KMT2A (0.45) PTGS2KMT2AGAAMAPTSMN1; SMN2
SCHEMBL8629761 0.87 PTGS2 (0.48) PTGS2KMT2AMAPTPOLBMEN1
SCHEMBL8634392 0.87 PTGS2 (0.48) PTGS2KMT2AGAAMAPTSMN1; SMN2
SCHEMBL8631761 0.87 PTGS2 (0.44) PTGS2CYP2C9
SCHEMBL8631438 0.87 CYP1A2 (0.46) PTGS2KMT2AGAAMAPTSMN1; SMN2
SCHEMBL8631944 0.85 KMT2A (0.44) KMT2AGAAMAPTSMN1; SMN2TDP1
SCHEMBL8631393 0.85 KMT2A (0.42) KMT2AGAAMAPTSMN1; SMN2TDP1

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