SCHEMBL2014276

SCHEMBL2014276

CC(=O)c1[c]c2ncccc2c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.37
RECQL P46063 1/20 0.37
TDO2 P48775 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
ALOX12 P18054 2/20 0.36
COMT P21964 4/20 0.35
RAB9A P51151 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
SCHEMBL2015220 0.83 CCR1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL2017454 0.82 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL29869804 0.68 MEN1 (0.41) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL2015831 0.67 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1812108 0.64 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL1715894 0.64 ALDH1A1 (0.38) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2018364 0.63 KDM4E (0.39) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7689814 0.63 COMT (0.57) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL29276419 0.63 NAPRT (0.46) L3MBTL1KDM4EALDH1A1LMNAMAPT
SCHEMBL2892496 0.63 KDM4E (0.43) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed