SCHEMBL2018360

SCHEMBL2018360

O=CCc1cc(F)c2cccnc2c1N1CC[C@@H](O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.36
PRKDC P78527 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MPI P34949 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
IDO1 P14902 1/20 0.34
RECQL P46063 1/20 0.34
TDO2 P48775 1/20 0.34
BLM P54132 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL2017442 0.88 SLC40A1 (0.44) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2014289 0.85 KDM4E (0.36) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2014290 0.85 KDM4E (0.36) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2013352 0.82 METAP2 (0.43) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2017535 0.81 MAPT (0.41) L3MBTL1KDM4EMPIALDH1A1MAPT
SCHEMBL2013524 0.80 HTR1A (0.42) L3MBTL1KDM4EALDH1A1LMNAFFAR4
SCHEMBL2163892 0.79 L3MBTL1 (0.44) SLC40A1PRKDCL3MBTL1KDM4EMPI
SCHEMBL2018198 0.78 METAP2 (0.41) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2014288 0.76 L3MBTL1 (0.41) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL2013917 0.75 METAP2 (0.43) L3MBTL1KDM4EMPIMEN1ALDH1A1

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