SCHEMBL8129086

SCHEMBL8129086

O=C1c2c[c]c(C(F)(F)F)cc2C(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDC25B P30305 1/20 0.43
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PLA2G1B P04054 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40

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
SCHEMBL11746341 0.72 MEN1 (0.48) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL9547857 0.70 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9171969 0.69 NPC1 (0.66) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL27593709 0.69 MEN1 (0.71) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL28260408 0.68 MEN1 (0.92) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL31674878 0.68 NPC1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL7791837 0.68 NPC1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL8125338 0.68 MEN1 (0.43) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL457917 0.67 CYP1A2 (0.33) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL14874534 0.67 MEN1 (0.67) MEN1KMT2ACDC25BBCL2MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed