SCHEMBL23637498

SCHEMBL23637498

Clc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc2c1sc1ccc3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 1/20 0.31
TYMS P04818 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL23637492 0.85 CYP1A1 (0.43) CYP1A1CYP1B1MEN1KMT2AKDM4E
SCHEMBL23637487 0.84 KDM4E (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23637491 0.83 KDM4E (0.34) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23637312 0.82 DHFR (0.34) CYP1A1CYP1B1MAPTDHFRTYMS
SCHEMBL23637503 0.75 MAPT (0.37) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23168497 0.75 PDK2 (0.37) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18646064 0.75
SCHEMBL20348962 0.74 MEN1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL24048265 0.73 CYP2A6 (0.36) CYP1A1CYP1B1MAPTPOLB
SCHEMBL20349002 0.73 KDM4E (0.32) 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
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed