SCHEMBL1839936

SCHEMBL1839936

CC(NC(=O)c1cccc2ccc(C(C)(C)C(F)(F)F)nc12)c1cnn(C)c1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CCR1 P32246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FGFR4 P22455 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
LGMN Q99538 1/20 0.32
BRPF1 P55201 1/20 0.31
WNT1 P04628 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
KCNT1 Q5JUK3 1/20 0.31
HDAC3 O15379 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL1841391 0.87 CCR1 (0.39) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1842532 0.87 KDM4E (0.36) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1840039 0.85 KDM4E (0.34) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1842443 0.84 MAPT (0.36) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1839734 0.82 CCR1 (0.36) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1842383 0.81 CCR1 (0.36) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1841550 0.81 CCR1 (0.35) KDM4EALDH1A1MAPTCCR1MEN1
SCHEMBL1845558 0.80 CCR1 (0.40) KDM4EALDH1A1MAPTCCR1FGFR4
SCHEMBL1839932 0.80 BRPF1 (0.42) KMT2ARAB9AMAPK1BRPF1WNT1
SCHEMBL2010061 0.80 BRPF1 (0.42) KMT2ARAB9AMAPK1BRPF1WNT1

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
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP claimed