SCHEMBL14037484

SCHEMBL14037484

COc1ccc2c(c1)C=CC(C)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PTPN1 P18031 1/20 0.36
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL23790876 0.75
SCHEMBL8994287 0.74 SNCA (0.57) SNCAALDH1A1KMT2AKDM4EMEN1
SCHEMBL24384601 0.68 SNCA (0.39) SNCAALDH1A1PTPN1KMT2AKDM4E
SCHEMBL31095213 0.67 MAPT (0.57) SNCAALDH1A1KMT2AKDM4EMEN1
SCHEMBL4366398 0.67 PDE3B (0.41) SNCAALDH1A1KMT2AKDM4EMEN1
SCHEMBL16471403 0.67 SNCA (0.53) SNCAALDH1A1PTPN1KMT2AKDM4E
SCHEMBL7346679 0.66 NFKB1 (0.40) SNCABRD4ALDH1A1KMT2AKDM4E
SCHEMBL10841242 0.66 ALDH1A1 (0.46) SNCAALDH1A1KMT2AKDM4EMEN1
SCHEMBL9440353 0.64 BRD4 (0.42) BRD4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL11697201 0.64 HSPA1A (0.42) SNCAALDH1A1PTPN1KMT2AKDM4E

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-2008139287-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER LIMITED (GB) 2008-11-20 WO disclosed