SCHEMBL4866386

SCHEMBL4866386

c1ccc2c(-c3nccn3-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NISCH Q9Y2I1 1/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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
SCHEMBL27719924 0.88 NPC1 (0.42) NPC1MAPK1HTR2CHTR2APOLB
SCHEMBL23017552 0.84 HTR2C (0.40) NPC1MAPK1HTR2CHTR2APOLB
SCHEMBL19961723 0.84 HTR2C (0.46) NPC1HTR2CHTR2AKDM4ENISCH
SCHEMBL27659057 0.84 P2RX4 (0.46) NPC1MAPK1PI4KAPI4K2BPI4K2A
SCHEMBL27729314 0.80 HTR2C (0.46) HTR2CHTR2APOLBKDM4ENISCH
SCHEMBL9405397 0.80 NPC1 (0.49) NPC1MAPK1HTR2CHTR2APOLB
SCHEMBL5638922 0.77 NPC1 (0.49) NPC1MAPK1HTR2APOLBKDM4E
SCHEMBL28330184 0.77 PI4KA (0.49) NPC1MAPK1HTR2APOLBKDM4E
SCHEMBL5486071 0.77 HTR2C (0.66) MAPK1HTR2CHTR2AKDM4ENISCH
SCHEMBL27944468 0.76 NPC1 (0.45) NPC1MAPK1HTR2APOLBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314701-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2008-01-01 US claimed
US-7314701-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2008-01-01 US disclosed
US-20050095527-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-05 US disclosed