SCHEMBL8633150

SCHEMBL8633150

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
CNR2 P34972 1/20 0.35
PKM P14618 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL8629408 0.90 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8630200 0.88 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631537 0.86 EDNRB (0.41) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8630980 0.86 KMT2A (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8632871 0.86 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631097 0.84 PTGS2 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8632158 0.84 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8629100 0.83 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631755 0.83 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8628674 0.83 PTGS2 (0.44) MAPTMEN1KMT2AKDM4ELMNA

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