SCHEMBL18993131

SCHEMBL18993131

Cc1ccc(Oc2cccc(CCl)c2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TTR P02766 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAP4K4 O95819 2/20 0.35
F2 P00734 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
F10 P00742 3/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL18993112 0.87 PPARG (0.41) MCL1BAK1CYP1A2CYP2C9CYP2C19
SCHEMBL1010860 0.81 F2 (0.44) CYP1A2CYP2C9CYP2C19NPC1CYP3A4
SCHEMBL14811619 0.80 F10 (0.45) MAPTL3MBTL1F2NR1H2NR1H3
SCHEMBL18993132 0.79 CCNT1 (0.38) MCL1BAK1L3MBTL1EGLN1F2
SCHEMBL18993114 0.77 MCL1 (0.40) MCL1BAK1MAPTL3MBTL1EGLN1
SCHEMBL14810502 0.76 F10 (0.44) MAPTL3MBTL1NR1H2NR1H3F10
SCHEMBL1013370 0.75 KDM4E (0.44) NPC1L3MBTL1TTRMAP4K4NR1H2
SCHEMBL30657584 0.75 KDM4E (0.44) NPC1L3MBTL1TTRMAP4K4NR1H2
SCHEMBL27209650 0.75 F2 (0.39) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL18422515 0.74 TTR (0.46) MAPTTTR

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
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed