SCHEMBL21389461

SCHEMBL21389461

O=C(CI)CNC(=O)CCN1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL21389134 0.84 KMT2A (0.46) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL24796119 0.77 KDM4E (0.48) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL24795970 0.76 POLB (0.41) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL21389288 0.76 KMT2A (0.44) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL21389457 0.75 MAPK1 (0.49) KMT2AKDM4EMAPK1TSHRMEN1
SCHEMBL21389186 0.75 KDM4E (0.49) KMT2AKDM4EMAPK1TSHRMEN1
SCHEMBL12424124 0.75 KMT2A (0.55) KMT2AMAPK1TSHRMEN1LMNA
SCHEMBL21389353 0.75 KMT2A (0.43) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL21389359 0.74 KMT2A (0.48) KMT2AKDM4EMAPK1POLBTSHR
SCHEMBL24796270 0.74 KMT2A (0.42) KMT2AKDM4EMAPK1POLBMEN1

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed