SCHEMBL4356484

SCHEMBL4356484

[CH2]CNC/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.46
PRMT1 Q99873 1/20 0.45
MAOB P27338 2/20 0.44
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
HTR2A P28223 3/20 0.41
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4356479 1.00 RAB9A (0.49) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL2770961 0.87 KDM4E (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL2770965 0.87 KDM4E (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL11597357 0.83 PRMT1 (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL14275030 0.83 KDM4E (0.52) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL11597360 0.83 PRMT1 (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL3884865 0.82 RAB9A (0.47) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL3884868 0.82 RAB9A (0.47) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL28862342 0.80 AKT1 (0.42) RAB9AKDM4EALDH1A1LMNAMAPK1
SCHEMBL2189374 0.79 RAB9A (0.53) RAB9AKDM4EALDH1A1PRMT1MAOB

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-2009116840-A2 CHEMICAL REAGENTS REGULATING STEM CELL FATE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-09-24 WO disclosed