SCHEMBL25568100

SCHEMBL25568100

Clc1ccc2sc3c(-c4ccccc4-c4ccccc4)cccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALOX5 P09917 1/20 0.43
IDO1 P14902 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PARP14 Q460N5 1/20 0.38
PRKDC P78527 2/20 0.38
F9 P00740 1/20 0.38
MAPK1 P28482 1/20 0.37
LIMK1 P53667 1/20 0.36
ELANE P08246 1/20 0.36
PIM1 P11309 2/20 0.36
MAPT P10636 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ROCK1 Q13464 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL24969658 0.94 ALOX5 (0.49) KDM4EALOX5IDO1KMT2AMEN1
SCHEMBL30203507 0.94 ALOX5 (0.49) KDM4EALOX5IDO1KMT2AMEN1
SCHEMBL30150724 0.91 ALOX5 (0.50) KDM4EALOX5IDO1KMT2AMEN1
SCHEMBL23313530 0.87 ALOX5 (0.49) KDM4EALOX5KMT2AMEN1RXFP1
SCHEMBL21186940 0.87 ALOX5 (0.49) KDM4EALOX5KMT2AMEN1RXFP1
SCHEMBL22424745 0.85 ALOX5 (0.57) KDM4EALOX5IDO1RXFP1PARP14
SCHEMBL23561331 0.84 KDM4E (0.44) KDM4EALOX5IDO1RXFP1PARP14
SCHEMBL22161026 0.83 ALOX5 (0.54) KDM4EALOX5KMT2ARXFP1PARP14
SCHEMBL11661203 0.83 KDM4E (0.61) KDM4EALOX5IDO1KMT2AMEN1
SCHEMBL29072912 0.82 ALOX5 (0.55) ALOX5KMT2AMEN1PARP14PRKDC

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-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 WO disclosed