SCHEMBL8629307

SCHEMBL8629307

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(C)c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
STAT3 P40763 2/20 0.42
NPY5R Q15761 1/20 0.42
MEN1 O00255 1/20 0.42
PGR P06401 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TRIM24 O15164 1/20 0.41

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 0.90 MAPT (0.43) KMT2AMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL8631516 0.88 PTGS2 (0.46) KMT2AMAPTPOLBNPSR1MEN1
SCHEMBL8628005 0.88 MAPT (0.47) KMT2AMAPTALDH1A1NPY5RMEN1
SCHEMBL8632451 0.87 KDM1A (0.45) KMT2APOLBALDH1A1NPSR1MEN1
SCHEMBL8634609 0.86 KMT2A (0.45) GAAKMT2AMAPTSMN1; SMN2POLB
SCHEMBL8632194 0.85 KMT2A (0.40) GAAKMT2AMAPTSMN1; SMN2POLB
SCHEMBL8631438 0.85 CYP1A2 (0.46) GAAKMT2AMAPTSMN1; SMN2POLB
SCHEMBL8634385 0.85 ACLY (0.42) GAAKMT2AMAPTSMN1; SMN2POLB
SCHEMBL8629545 0.85 NPC1 (0.41) SMN1; SMN2ALDH1A1CYP2C9LMNA
SCHEMBL8631639 0.84 KMT2A (0.41) GAAKMT2AMAPTSMN1; SMN2POLB

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