SCHEMBL4754092

SCHEMBL4754092

O=CCN1CCN(c2nc(-c3ccccc3Cl)nc3cc(Cl)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCB1 P08183 1/20 0.54
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GBA1 P04062 7/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
HDAC3 O15379 1/20 0.43
MTOR P42345 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL4754102 0.89 KMT2A (0.72) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4756735 0.88 KMT2A (0.58) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4753586 0.84 KMT2A (0.56) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4090318 0.83 ABCB1 (0.76) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4753636 0.82 KMT2A (0.55) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4756892 0.82 MAPT (0.61) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4095794 0.80 ABCB1 (0.55) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4754220 0.78 MEN1 (0.54) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4753657 0.78 MEN1 (0.52) MEN1KMT2AABCB1MAPTTDP1
SCHEMBL4755807 0.78 GBA1 (0.63) MEN1KMT2AMAPTCYP3A4CYP2D6

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