SCHEMBL22843751

SCHEMBL22843751

NNC(=O)c1cn(C2CC2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 2/20 0.62
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL29398114 1.00 MEN1 (0.64) MEN1KMT2AKDM4ECNR1CNR2
SCHEMBL30906933 0.83 KDM4E (0.86) MEN1KMT2AKDM4EOPRM1OPRD1
SCHEMBL30906932 0.83 KDM4E (0.86) MEN1KMT2AKDM4EOPRM1OPRD1
SCHEMBL3399045 0.83 KDM4E (0.86) MEN1KMT2AKDM4EOPRM1OPRD1
SCHEMBL9029352 0.79 HTR3A (0.63) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL22843832 0.78 MEN1 (0.45) MEN1KMT2AKDM4ECNR1CNR2
SCHEMBL4701897 0.78 KDM4E (0.62) MEN1KMT2AKDM4ECNR1CNR2
SCHEMBL10627067 0.78 KDM4E (0.58) MEN1KMT2AKDM4EOPRM1OPRD1
SCHEMBL29396574 0.78 KDM4E (0.58) MEN1KMT2AKDM4EOPRM1OPRD1
SCHEMBL24254462 0.77 LMNA (0.71) KMT2AKDM4ELMNAALDH1A1

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-2020264581-A1 BORON CONTAINING COMPOUNDS AND THEIR USES Boragen, Inc. (US) 2020-12-30 WO disclosed