SCHEMBL23637487

SCHEMBL23637487

Clc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALOX5 P09917 1/20 0.35
GPR3 P46089 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.31
PARP14 Q460N5 1/20 0.30
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
SCHEMBL23637312 0.88 DHFR (0.34) MAPT
SCHEMBL23637491 0.86 KDM4E (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637435 0.86 ALOX5 (0.38) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637500 0.84 KDM4E (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637498 0.84 CYP1A1 (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637503 0.83 MAPT (0.37) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637422 0.83 PDK2 (0.36) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL21975163 0.79 MAPT (0.45) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL23637492 0.78 CYP1A1 (0.43) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL438594 0.77 PARP14 (0.46) KDM4EMAPTMEN1KMT2ALMNA

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