SCHEMBL2774574

SCHEMBL2774574

C(=Cc1ccc[nH]1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ATM Q13315 1/20 0.61
GRM4 Q14833 1/20 0.44
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IP6K1 Q92551 1/20 0.40
NR4A1 P22736 1/20 0.40
FGFR1 P11362 1/20 0.40
MAOA P21397 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IKBKB O14920 1/20 0.39
RAF1 P04049 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL2774571 1.00 RAB9A (0.61) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL2464133 0.78 MAPT (0.52) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL31560044 0.78 NPC1 (1.00) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL229329 0.78 NPC1 (1.00) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL2464131 0.78 MAPT (0.52) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL9394256 0.78 NPC1 (1.00) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL229328 0.78 NPC1 (1.00) RAB9ANPC1KMT2AMEN1ATM
Methyl Alcohol SCHEMBL28478479 0.74 NPC1 (0.89) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL1288073 0.73 MAPT (0.39) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2457890 0.73 RAB9A (0.46) RAB9ANPC1KMT2AMEN1MAPT

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-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 US disclosed