SCHEMBL4753567

SCHEMBL4753567

NCc1nc(-c2ccc(F)cc2F)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ GBA1 P04062 3/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ USP1 O94782 1/20 0.37
▸ WDR48 Q8TAF3 1/20 0.37

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
SCHEMBL14529444 0.81 ACHE (0.49) MAPTPOLBMAPK1HIF1AACHE
SCHEMBL4090716 0.81 MAPT (0.51) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL16038390 0.76 SMN1; SMN2 (0.45) MAPTHIF1AACHEMEN1KMT2A
SCHEMBL1083778 0.75 CYP2D6 (0.63) MAPTMAPK1HIF1AMEN1KMT2A
SCHEMBL4753568 0.75 CYP1A2 (0.63) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL4090718 0.75 PDE5A (0.63) MAPTPOLBLMNASMN1; SMN2GBA1
SCHEMBL4090714 0.75 MAPT (0.42) MAPTPOLBMAPK1HIF1AACHE
SCHEMBL4090989 0.73 HIF1A (0.76) MAPTMAPK1HIF1AMEN1KMT2A
SCHEMBL4085263 0.72 HIF1A (0.79) MAPTMAPK1HIF1AMEN1KMT2A
SCHEMBL15452624 0.72 ABCG2 (0.65) MAPTMAPK1LMNAGBA1TP53

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
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