SCHEMBL8629928

SCHEMBL8629928

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FPR1 P21462 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC7 O00311 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIMK2 P53671 1/20 0.39
NPY5R Q15761 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL8630170 0.92 CDC7 (0.43) PTGS2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL8631027 0.92 PTGS2 (0.42) PTGS2ALDH1A1FPR1MAPTMEN1
SCHEMBL8635531 0.91 PTGS2 (0.50) PTGS2MAPTMEN1KMT2AKDM4E
SCHEMBL8629982 0.91 EDNRB (0.43) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8630021 0.89 SMN1; SMN2 (0.49) PTGS2ALDH1A1FPR1MAPTMEN1
SCHEMBL8631438 0.89 CYP1A2 (0.46) PTGS2ALDH1A1MAPTKMT2APTGDR2
SCHEMBL8629382 0.89 ALDH1A1 (0.41) PTGS2ALDH1A1MEN1KMT2APTGDR2
SCHEMBL8630525 0.87 CCR4 (0.41) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8635571 0.86 PTGDR2 (0.48) PTGS2ALDH1A1FPR1MAPTMEN1
SCHEMBL8630980 0.86 KMT2A (0.39) PTGS2ALDH1A1FPR1MAPTMEN1

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