SCHEMBL807058

SCHEMBL807058

Nc1nc2ccc(-c3cccc(CO)c3)cc2cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SRC P12931 2/20 0.47
FGFR1 P11362 1/20 0.47
FYN P06241 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PRKCI P41743 1/20 0.45
HTR1A P08908 1/20 0.45
GPR68 Q15743 1/20 0.45
BACE1 P56817 1/20 0.44
MAP4K4 O95819 1/20 0.43
ATR Q13535 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
CDK8 P49336 1/20 0.42
LIMK1 P53667 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL10277962 0.83 HSD17B1 (0.51) MEN1NPC1RAB9AKMT2ASRC
SCHEMBL807074 0.76 FGFR1 (0.57) MEN1NPC1RAB9AKMT2ASRC
Hydrochloric Acid SCHEMBL789680 0.74 FGFR1 (0.55) MEN1NPC1RAB9AKMT2ASRC
SCHEMBL8574353 0.73 KMT2A (0.74) MEN1NPC1RAB9AKMT2ASRC
SCHEMBL790060 0.73 FGFR1 (0.54) MEN1NPC1RAB9AKMT2ASRC
SCHEMBL30108284 0.73 PRKCI (0.70) FGFR1FYNPRKCIHTR1AGPR68
SCHEMBL249824 0.73 PRKCI (0.70) FGFR1FYNPRKCIHTR1AGPR68
SCHEMBL789883 0.72 MAP4K4 (0.54) MEN1NPC1RAB9AKMT2ASRC
SCHEMBL23750160 0.71 PRKCI (0.63) MEN1NPC1RAB9AKMT2AFGFR1
SCHEMBL4191589 0.71 PRKCI (0.72) FGFR1FYNPRKCIACMSDCDK8

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed