SCHEMBL30697002

SCHEMBL30697002

O=C(Nc1ccccc1)Nc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
CA2 P00918 2/20 0.69
IMPDH2 P12268 1/20 0.69
PLAU P00749 1/20 0.67
EPHX1 P07099 2/20 0.65
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
EPHX2 P34913 1/20 0.65
CDK9 P50750 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA9 Q16790 1/20 0.65
CNR1 P21554 1/20 0.63
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
KDR P35968 1/20 0.61

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
SCHEMBL11049543 1.00 MAPT (1.00) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL9547503 0.94 RAB9A (0.89) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL24272501 0.89 MAPT (0.80) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL24272500 0.89 MAPT (0.80) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL11057371 0.87 NPC1 (0.77) MAPTNPC1RAB9ACA2EPHX1
SCHEMBL14470404 0.87 NPC1 (0.77) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL22588930 0.86 MAPT (0.75) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL4443474 0.84 RAB9A (0.73) MAPTNPC1RAB9ACA2CNR1
SCHEMBL10686230 0.84 NPC1 (0.73) MAPTNPC1RAB9ACA2IMPDH2
SCHEMBL14470417 0.84 RAB9A (0.73) MAPTNPC1RAB9ACA2PLAU

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
CN-117186054-A Preparation method of vinylene carbonate 湖北百杰瑞新材料股份有限公司 2023-12-08 CN disclosed