SCHEMBL2015905

SCHEMBL2015905

COC1CCCN(c2c(CC=O)cc(Cl)c3cccnc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.39
NPSR1 Q6W5P4 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 7/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MPI P34949 2/20 0.38
HTR5A P47898 1/20 0.37
MAOB P27338 1/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 6/20 0.36
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36

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
SCHEMBL2012724 0.94 METAP2 (0.39) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2012485 0.88 METAP2 (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2012021 0.86 METAP2 (0.40) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2013352 0.85 METAP2 (0.43) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2014321 0.85 METAP2 (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2015476 0.84 METAP2 (0.42) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2018198 0.82 METAP2 (0.41) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2017442 0.81 SLC40A1 (0.44) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2015903 0.81 METAP2 (0.39) METAP2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2163515 0.81 ALDH1A1 (0.43) NPSR1ALDH1A1KMT2AMEN1CYP1A2

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