SCHEMBL8630200

SCHEMBL8630200

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 4/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APAF1 O14727 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL8632871 0.89 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629408 0.88 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8633150 0.88 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631097 0.88 PTGS2 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629100 0.87 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631755 0.87 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8632875 0.86 SMN1; SMN2 (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8632849 0.85 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8630021 0.85 SMN1; SMN2 (0.49) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8488735 0.83 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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