SCHEMBL24474332

SCHEMBL24474332

CC(C)CNC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.41
EPHX1 P07099 1/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR2 O43614 2/20 0.37
CSNK1E P49674 1/20 0.37
LMNA P02545 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
SCHEMBL13107150 0.86 KMT2A (0.64) KMT2ACYP2C19HTTCYP2D6SMN1; SMN2
SCHEMBL20878524 0.84 POLB (0.54) KMT2AEPHX1CYP2C19CYP2D6SMN1; SMN2
SCHEMBL2603264 0.81 HCRTR2 (0.45) KMT2ACYP2C19HTTHCRTR2LMNA
SCHEMBL26228168 0.80 KMT2A (0.43) KMT2ACYP2C19HTTSMN1; SMN2POLB
SCHEMBL7863949 0.80 KMT2A (0.48) KMT2AKDM4EEPHX1CYP2C19HTT
SCHEMBL12233194 0.80 KMT2A (0.48) KMT2AKDM4EEPHX1CYP2C19HTT
SCHEMBL2603261 0.79 HTT (0.45) KMT2ACYP2C19HTTHCRTR2LMNA
SCHEMBL2603259 0.79 KMT2A (0.42) KMT2AKDM4ECYP2C19HTTHSD17B10
SCHEMBL2603260 0.78 POLB (0.58) KMT2ASMN1; SMN2POLBHCRTR2LMNA
SCHEMBL7862569 0.78 KMT2A (0.47) KMT2AKDM4EEPHX1CYP2C19HTT

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-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed