SCHEMBL8632849

SCHEMBL8632849

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
CYTH2 Q99418 1/20 0.36
TSHR P16473 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SDHB P21912 1/20 0.36
PKM P14618 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL8629978 0.85 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2FFAR4
SCHEMBL8630200 0.85 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2FFAR4
SCHEMBL8628005 0.84 MAPT (0.47) MAPTMEN1KMT2AFFAR4PTGS2
SCHEMBL8632871 0.84 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8629100 0.83 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8631755 0.83 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL8629408 0.82 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2FFAR4
SCHEMBL8633150 0.82 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2FFAR4
SCHEMBL8631097 0.82 PTGS2 (0.43) MAPTMEN1KMT2ASMN1; SMN2FFAR4
SCHEMBL8631259 0.81 HSD11B1 (0.39) MEN1KMT2ASMN1; SMN2PTGS2PTGS1

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