SCHEMBL2017454

SCHEMBL2017454

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ALOX12 P18054 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSP90AA1 P07900 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MMP14 P50281 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
SLC6A2 P23975 2/20 0.41
OPRK1 P41145 2/20 0.41
ALOX15B O15296 1/20 0.41
NR1I2 O75469 1/20 0.41

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) L3MBTL1ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL2014276 0.82 L3MBTL1 (0.41) L3MBTL1ALOX12KDM4EALDH1A1TDP1
SCHEMBL2018364 0.80 KDM4E (0.39) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
SCHEMBL7302758 0.75 L3MBTL1 (0.46) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
SCHEMBL29120017 0.72 CCR1 (0.40) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
SCHEMBL27790124 0.69 ALOX12 (0.63) L3MBTL1ALOX12KDM4ETDP1HSP90AA1
SCHEMBL2014457 0.67 ALOX12 (0.64) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
Chloroxine SCHEMBL4459987 0.65 ALOX12 (0.81) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
SCHEMBL365395 0.64 ALDH1A1 (0.45) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4
SCHEMBL11694168 0.64 KDM4E (0.64) L3MBTL1ALOX12KDM4EALDH1A1CYP3A4

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