SCHEMBL23637435

SCHEMBL23637435

Clc1ccccc1-c1ccc(-c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3c2sc2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PRSS12 P56730 1/20 0.36
CYP2A6 P11509 1/20 0.36
PDK2 Q15119 1/20 0.35
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL23637422 0.86 PDK2 (0.36) ALOX5PRSS12CYP2A6PDK2TNKS
SCHEMBL23637487 0.86 KDM4E (0.36) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL328655 0.81 ALOX5 (0.40) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL437557 0.80 ALOX5 (0.51) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL328681 0.80 ALOX5 (0.51) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL437565 0.79 ALOX5 (0.50) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL22146802 0.79 ALOX5 (0.45) ALOX5PDK2TNKSTNKS2MAPT
SCHEMBL23637500 0.78 KDM4E (0.35) ALOX5PDK2TNKSTNKS2MAPT
SCHEMBL371197 0.78 ALOX5 (0.54) ALOX5TNKSTNKS2MAPTKDM4E
SCHEMBL18086197 0.77 ALOX5 (0.54) ALOX5PDK2TNKSTNKS2MAPT

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