SCHEMBL24969658

SCHEMBL24969658

Clc1ccc2sc3c(-c4ccccc4)cccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 2/20 0.47
IDO1 P14902 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LIMK1 P53667 1/20 0.40
F9 P00740 1/20 0.39
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.37
PIM1 P11309 2/20 0.37
PARP14 Q460N5 1/20 0.37
PRKDC P78527 1/20 0.36
MAPT P10636 3/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ROCK1 Q13464 1/20 0.36
CYP2A6 P11509 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL30203507 1.00 ALOX5 (0.49) ALOX5KDM4EIDO1KMT2AMEN1
SCHEMBL30150724 0.97 ALOX5 (0.50) ALOX5KDM4EIDO1KMT2AMEN1
SCHEMBL25568100 0.94 KDM4E (0.45) ALOX5KDM4EIDO1KMT2AMEN1
SCHEMBL22424745 0.91 ALOX5 (0.57) ALOX5KDM4EIDO1RXFP1F9
SCHEMBL11661203 0.88 KDM4E (0.61) ALOX5KDM4EIDO1KMT2AMEN1
SCHEMBL21180371 0.88 ALOX5 (0.49) ALOX5KDM4EKMT2AMEN1RXFP1
SCHEMBL25893750 0.87 ALOX5 (0.46) ALOX5KDM4EIDO1LIMK1PIM1
SCHEMBL22700611 0.87 ALOX5 (0.44) ALOX5KDM4EIDO1MAPK1PIM1
SCHEMBL29993235 0.84 ALOX5 (0.55) ALOX5KMT2AMEN1LIMK1F9
SCHEMBL23623297 0.84 ALOX5 (0.55) ALOX5KMT2AMEN1LIMK1F9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023065614-A1 METAL COMPLEX, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC COMPONENT 广州华睿光电材料有限公司 2023-04-27 WO disclosed
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed