SCHEMBL8629284

SCHEMBL8629284

COc1c(C)cc(-c2c(NS(=O)(=O)c3ccccc3)n[nH]c2C(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HTR6 P50406 2/20 0.36
GAA P10253 1/20 0.36
CYTH2 Q99418 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35

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
SCHEMBL8758119 0.93 ALDH1A1 (0.39) CCR4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL8633621 0.90 MAPK14 (0.39) CCR4TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL8630483 0.89 KMT2A (0.42) CCR4TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL8629227 0.88 ALDH1A1 (0.43) CCR4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL8634594 0.86 FFAR4 (0.39) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL8629853 0.85 MEN1 (0.45) KMT2AMEN1TDP1MAPTFFAR4
SCHEMBL8633701 0.84 KMT2A (0.48) CCR4SMN1; SMN2KMT2AMEN1POLB
SCHEMBL8629976 0.83 L3MBTL1 (0.51) SMN1; SMN2KMT2AMEN1MAPTFFAR4
SCHEMBL8627699 0.82 MAPK14 (0.40) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL8630886 0.82 MCL1 (0.45) TSHRKMT2AMEN1TDP1FFAR4

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