SCHEMBL4753586

SCHEMBL4753586

O=CCN1CCN(c2nc(-c3ccccc3Cl)nc3ccc(F)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ABCB1 P08183 1/20 0.52
MAPT P10636 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP2D6 P10635 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GBA1 P04062 4/20 0.42
HIF1A Q16665 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL4754102 0.87 KMT2A (0.72) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4756892 0.84 MAPT (0.61) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4090614 0.84 ABCB1 (0.73) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4754092 0.84 MEN1 (0.58) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4755906 0.82 HIF1A (0.56) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4085201 0.81 ABCB1 (0.53) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4753657 0.81 MEN1 (0.52) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4753636 0.80 KMT2A (0.55) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4756735 0.80 KMT2A (0.58) KMT2AMEN1ABCB1MAPTCYP1A2
SCHEMBL4093148 0.79 KMT2A (0.54) KMT2AMEN1ABCB1MAPTCYP1A2

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