SCHEMBL11325822

SCHEMBL11325822

COC(=O)c1cn(C(C)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 3/20 0.41
SYK P43405 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LCK P06239 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
SCHEMBL30437740 0.78 MEN1 (0.42) MEN1KMT2AMAPK1SYKALDH1A1
SCHEMBL1613089 0.77 MEN1 (0.49) MEN1KMT2AMAPK1SYKKDM4E
SCHEMBL6275526 0.73 SIRT6 (0.35) KMT2AKDM4EALDH1A1
SCHEMBL1829517 0.73 MEN1 (0.46) MEN1KMT2AMAPK1SYK
SCHEMBL14498970 0.73 MEN1 (0.46) MEN1KMT2AMAPK1SYKKDM4E
SCHEMBL7425205 0.73 SMYD3 (0.50) MEN1KMT2AMAPK1PTGER4
SCHEMBL15775548 0.73 MEN1 (0.43) MEN1KMT2AMAPK1SYKCA12
SCHEMBL16534797 0.72 MEN1 (0.37) MEN1KMT2AMAPK1KDM4EL3MBTL1
SCHEMBL4891287 0.71 MEN1 (0.44) MEN1KMT2AMAPK1SYKKDM4E
SCHEMBL14225445 0.71 MEN1 (0.44) MEN1KMT2AMAPK1SYKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000373-B1 IMIDAZOLE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULANTS OR PLANT PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-07 EP disclosed
US-4182624-A FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-08 US disclosed
EP-0000373-A1 Imidazole carboxylic acids and derivatives thereof, process for their preparation and their use as plant growth regulants or plant protection agents HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-24 EP disclosed