SCHEMBL23637503

SCHEMBL23637503

Clc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc2sc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR3 P46089 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MCL1 Q07820 2/20 0.31
POLB P06746 3/20 0.31
ADK P55263 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 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 0.84 CYP1A1 (0.43) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23637494 0.83 KDM4E (0.35) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23637487 0.83 KDM4E (0.36) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22920822 0.81 IDO1 (0.35) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23637423 0.81 BRDT (0.31)
SCHEMBL21975172 0.80 MAPT (0.45) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22104846 0.77 MEN1 (0.36) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21975163 0.77 MAPT (0.45) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21976059 0.77 MAPT (0.41) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL24570193 0.76 MAPT (0.44) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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