SCHEMBL4756735

SCHEMBL4756735

O=CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ABCB1 P08183 1/20 0.57
MAPT P10636 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
ACHE P22303 1/20 0.49
GBA1 P04062 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 2/20 0.47
SMAD3 P84022 1/20 0.46

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) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4754092 0.88 MEN1 (0.58) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4755807 0.85 GBA1 (0.63) KMT2AMEN1MAPTABCG2CYP3A4
SCHEMBL4084997 0.84 ABCB1 (0.78) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4085547 0.83 ABCB1 (0.76) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4756892 0.82 MAPT (0.61) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4755906 0.81 HIF1A (0.56) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4755874 0.81 HIF1A (0.67) KMT2AMEN1ABCB1MAPTTDP1
SCHEMBL1083864 0.80 ABCB1 (0.64) KMT2AMEN1ABCB1MAPTABCG2
SCHEMBL4091214 0.80 GBA1 (0.60) KMT2AMEN1ABCB1MAPTABCG2

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