SCHEMBL8630041

SCHEMBL8630041

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C(F)(F)F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.40
MAPT P10636 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PI4KB Q9UBF8 1/20 0.38
ACLY P53396 1/20 0.38
KAT7 O95251 1/20 0.38
KAT6B Q8WYB5 1/20 0.38
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38

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
SCHEMBL8630562 0.91 CCR4 (0.42) CCR4PTGS1PTGS2PDE4APDE4B
SCHEMBL8629955 0.91 MAPT (0.46) MAPTPTGS1PTGS2POLBMEN1
SCHEMBL8627950 0.88 MAPT (0.38) MAPTPTGS1PTGS2POLBMEN1
SCHEMBL8634282 0.87 EDNRA (0.38) MAPTPTGS1PTGS2POLBMEN1
SCHEMBL8628055 0.87 MAPT (0.40) MAPTPTGS1PTGS2POLBMEN1
SCHEMBL8630525 0.86 CCR4 (0.41) CCR4MAPTPTGS2MEN1KMT2A
SCHEMBL8631438 0.86 CYP1A2 (0.46) CCR4MAPTPTGS2POLBKMT2A
SCHEMBL8634385 0.86 ACLY (0.42) MAPTPTGS1PTGS2POLBMEN1
SCHEMBL8629928 0.85 PTGS2 (0.43) MAPTPTGS2MEN1KMT2AKDM4E
SCHEMBL8630479 0.84 CCR4 (0.41) CCR4PTGS1PTGS2PDE4APDE4B

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