SCHEMBL4753835

SCHEMBL4753835

COc1cccc2nc(-c3ccccc3Cl)nc(N3CCN(CC=O)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
ABCB1 P08183 1/20 0.45
RAD52 P43351 1/20 0.45
HIF1A Q16665 3/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4753636 0.89 KMT2A (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4754220 0.87 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4753657 0.85 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4090028 0.85 ABCB1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4756771 0.83 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4091807 0.82 MAPT (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4754102 0.81 KMT2A (0.72) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4755285 0.81 MAPT (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4090616 0.81 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4755638 0.77 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1KDM4E

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-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed