SCHEMBL29345442

SCHEMBL29345442

N#Cc1c(-c2cccc3c2sc2ccccc23)c(F)c(-c2ccccc2)c(F)c1-c1cccc2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PARP14 Q460N5 1/20 0.37
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE9A O76083 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR3 P46089 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
DYRK1A Q13627 2/20 0.32
LIMK1 P53667 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PRKDC P78527 2/20 0.32

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
SCHEMBL21691641 0.82 ALOX5 (0.44) ALOX5PARP14ALDH1A1ALOX15HSD17B10
SCHEMBL21692485 0.82 ALOX5 (0.47) ALOX5PARP14ALDH1A1ALOX15HSD17B10
SCHEMBL29345468 0.81 GPR3 (0.37) ALDH1A1ALOX15HSD17B10PDE9AADORA2A
SCHEMBL29345343 0.80 ALOX5 (0.38) ALOX5PARP14ALDH1A1ALOX15HSD17B10
SCHEMBL21692486 0.80 ALOX5 (0.45) ALOX5PARP14ALDH1A1ALOX15HSD17B10
SCHEMBL21691752 0.78 ALOX5 (0.41) ALOX5PARP14ALDH1A1ALOX15HSD17B10
SCHEMBL23427683 0.78 PDE9A (0.35) ALOX5ALDH1A1ALOX15HSD17B10PDE9A
SCHEMBL23426840 0.78 PDE9A (0.35) ALOX5ALDH1A1ALOX15HSD17B10PDE9A
SCHEMBL21691585 0.77 ALOX5 (0.51) ALOX5PARP14ALDH1A1HSD17B10TNKS
SCHEMBL21693070 0.77 ALOX5 (0.48) ALOX5PARP14ALDH1A1TNKSTNKS2

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-2024147321-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-07-11 WO disclosed