SCHEMBL8631097

SCHEMBL8631097

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2C)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
TDP2 O95551 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
UBE2I P63279 1/20 0.36
ATM Q13315 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 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
SCHEMBL8630200 0.88 MAPT (0.50) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8627799 0.86 PTGS2 (0.49) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631337 0.86 PTGS2 (0.50) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8632871 0.86 MAPT (0.42) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8629408 0.84 MAPT (0.41) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8633150 0.84 MAPT (0.41) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8628753 0.84 PTGS2 (0.46) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631755 0.83 MAPT (0.42) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8629100 0.83 MAPT (0.40) PTGS2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8631550 0.83 PTGS2 (0.58) PTGS2MAPTMEN1KMT2APOLB

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