SCHEMBL8519975

SCHEMBL8519975

C=CCN(CC=C)c1ccccc1/C=C/c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.37
GRM4 Q14833 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 2/20 0.34
NTRK2 Q16620 2/20 0.34
G6PC1 P35575 1/20 0.34
PLAU P00749 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL7717165 0.85 PTPN1 (0.37) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8520461 0.78 RAB9A (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4940752 0.78 NFE2L2 (0.43) MEN1KMT2AKDM4E
SCHEMBL4940765 0.78 NFE2L2 (0.43) MEN1KMT2AKDM4E
SCHEMBL10583374 0.76 CDK4 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL11128934 0.76 PTPN1 (0.34) MEN1KMT2AKDM4E
SCHEMBL4255050 0.76 NPC1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL473072 0.75 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3257572 0.73 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9811806 0.72 NFKB1 (0.47) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171908-A None JP disclosed
JP-11171909-A None JP disclosed
JP-H11171909-A PHOTOPOLYMERIZABLE COMPOSITION AND SHEET FOR RECORDING BROTHER IND LTD 1999-06-29 JP disclosed
JP-H11171908-A PHOTOPOLYMERIZABLE COMPOSITION AND SHEET FOR RECORDING BROTHER IND LTD 1999-06-29 JP disclosed
US-5840859-A (Aminostyryl)pyridinium compounds for radiolabelling cell membranes RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-11-24 US disclosed
WO-1997002246-A1 (AMINOSTYRYL)PYRIDINIUM COMPOUNDS FOR RADIOLABELLING CELL MEMBRANES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-01-23 WO disclosed