SCHEMBL8629978

SCHEMBL8629978

Cn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
POLB P06746 1/20 0.41
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR1I2 O75469 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL8631516 0.93 PTGS2 (0.46) MAPTPOLBMEN1KMT2AHTT
SCHEMBL8628005 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8632451 0.92 KDM1A (0.45) EDNRBEDNRAPOLBOXTRAVPR1A
SCHEMBL8632194 0.90 KMT2A (0.40) MAPTEDNRBEDNRAPOLBMEN1
SCHEMBL8629307 0.90 GAA (0.47) MAPTPOLBMEN1KMT2AKEAP1
SCHEMBL8631851 0.85 MAPT (0.39) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL8632849 0.85 MAPT (0.39) MAPTOXTRAVPR1AMEN1KMT2A
SCHEMBL8632875 0.84 SMN1; SMN2 (0.50) MAPTEDNRBEDNRAMEN1KMT2A
SCHEMBL8634385 0.83 ACLY (0.42) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL8629545 0.83 NPC1 (0.41) ALDH1A1HTTSMN1; SMN2KDM4ELMNA

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