SCHEMBL23790141

SCHEMBL23790141

C=Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N(c6ccccc6)c6ccc7c(c6)[C@@](c6ccccc6)(c6ccc(C=C)cc6)c6ccccc6-7)ccc4-5)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 3/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL21894963 1.00 MEN1 (0.39) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21894835 0.99 MEN1 (0.38) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21894961 0.96 MEN1 (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21217289 0.96 MEN1 (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23638832 0.94 MEN1 (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21217299 0.94 MEN1 (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21894962 0.94 MEN1 (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21895082 0.93 MEN1 (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23790213 0.92 MEN1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21894839 0.92 MEN1 (0.33) MEN1KMT2AKDM4ELMNAMAPT

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
US-20210277269-A1 Ink Composition for Organic Light Emitting Device LG CHEM, LTD. (KR) 2021-09-09 US disclosed