SCHEMBL25100772

SCHEMBL25100772

CC(=O)NCCc1cn(C(C)C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
MTNR1A P48039 7/20 0.48
MTNR1B P49286 6/20 0.48
NQO2 P16083 2/20 0.48
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
CREBBP Q92793 1/20 0.46
RAB9A P51151 1/20 0.43

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
SCHEMBL4509981 0.85 NQO2 (0.64) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL25101000 0.83 SPR (0.56) CYP1A2BLMMTNR1AMTNR1BNQO2
SCHEMBL14550636 0.83 NQO2 (0.47) MEN1KMT2ANQO2KDM4EHPGD
SCHEMBL3667836 0.82 MEN1 (0.52) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL1519977 0.82 IDO1 (0.53) MEN1KMT2ALMNAKDM4EHPGD
SCHEMBL25100777 0.81 HTR6 (0.53) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL27973664 0.81 MEN1 (0.51) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL27973662 0.81 GFER (0.54) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL25100780 0.80 MTNR1A (0.77) MEN1KMT2ACYP1A2BLMMTNR1A
SCHEMBL29746155 0.80 KDM4E (0.44) MEN1KMT2AKDM4EHPGDHSD17B10

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-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed