SCHEMBL11214263

SCHEMBL11214263

C=CCc1cccnc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL730194 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
Bromide SCHEMBL27729503 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL28133304 0.83 CXCR4 (0.41) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL21534006 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL28191721 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL360470 0.80 L3MBTL1 (0.61) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL29593270 0.80 L3MBTL1 (0.61) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
Formamide SCHEMBL27918478 0.79 KDM4E (0.39) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL27895802 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
Bromide SCHEMBL10767217 0.78 L3MBTL1 (0.59) ALDH1A1L3MBTL1MEN1KMT2AKDM4E

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
US-4407670-A MARINE ALGICIDE, FUNGICIDE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-10-04 US disclosed