SCHEMBL17063571

SCHEMBL17063571

C=CCc1ccccc1N=C=N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32

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
SCHEMBL2532569 0.86 GABRA1 (0.41) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL28081941 0.83 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL8156871 0.83 CYP3A4 (0.42) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL11555510 0.79 GABRA1 (0.45) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL9618538 0.78 GABRA1 (0.46) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL14321847 0.78 GABRA1 (0.44) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL3806685 0.76 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL22462330 0.76 GABRA1 (0.44) GABRA1GABRB2ALDH1A1GAAMAPT
SCHEMBL28246060 0.76 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL7775721 0.76 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077354-B2 Epoxy compositions FRX POLYMERS, INC. (US) 2018-09-18 US disclosed
US-20150252228-A1 EPOXY COMPOSITIONS FRX POLYMERS, INC. (US) 2015-09-10 US disclosed