SCHEMBL8628753

SCHEMBL8628753

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C)c(F)c2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
CCR4 P51679 1/20 0.34
TDP2 O95551 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
UBE2I P63279 1/20 0.34
ATM Q13315 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34

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
SCHEMBL8629750 0.89 MAPT (0.46) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631761 0.89 PTGS2 (0.44) PTGS2
SCHEMBL8631337 0.88 PTGS2 (0.50) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8630525 0.87 CCR4 (0.41) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631550 0.87 PTGS2 (0.58) PTGS2MAPTMEN1KMT2AKDM4E
SCHEMBL8627799 0.86 PTGS2 (0.49) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8632376 0.85 MAPT (0.38) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8632158 0.85 MAPT (0.38) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8633047 0.85 MAPT (0.40) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631961 0.85 PTGS2 (0.38) PTGS2MAPTMEN1KMT2ASMN1; SMN2

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