SCHEMBL7985982

SCHEMBL7985982

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)NC1CCOCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A9 P48067 1/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
MITF O75030 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7993224 0.87 MEN1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7947322 0.84 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ENPSR1USP2
SCHEMBL7979068 0.81 PDE2A (0.40) SMN1; SMN2ALDH1A1KDM4ENPSR1USP2
SCHEMBL7946743 0.80 MITF (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7947062 0.80 MITF (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7951886 0.80 MITF (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7938411 0.79 NPC1 (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7998793 0.77 MITF (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7951889 0.77 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7946774 0.77 SLC6A9 (0.35) KMT2AMEN1ALDH1A1KDM4ENPSR1

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-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed