SCHEMBL4756892

SCHEMBL4756892

O=CCN1CCN(c2nc(-c3ccccc3F)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
HIF1A Q16665 2/20 0.51
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
GBA1 P04062 2/20 0.42
ABCB1 P08183 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL4755874 0.87 HIF1A (0.67) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL4753639 0.85 MAPT (0.61) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL4753586 0.84 KMT2A (0.56) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL1084285 0.84 HIF1A (0.67) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL1083836 0.84 HIF1A (0.71) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL4755939 0.83 ABCG2 (0.50) MAPTLMNAALDH1A1TSHRABCG2
SCHEMBL1083838 0.83 MAPT (0.65) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL1083777 0.83 HIF1A (0.73) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL4756735 0.82 KMT2A (0.58) MAPTHIF1ALMNAMEN1KMT2A
SCHEMBL4754092 0.82 MEN1 (0.58) MAPTHIF1ALMNAMEN1KMT2A

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