SCHEMBL21622682

SCHEMBL21622682

Brc1ccccc1-c1ccc2c(sc3ccccc32)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
ALOX5 P09917 1/20 0.42
PARP14 Q460N5 1/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35
PRKDC P78527 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3043523 0.86 ALOX5 (0.51) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL29601437 0.86 ALOX5 (0.51) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL20075196 0.84 PARP14 (0.50) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL232632 0.77 GPR3 (0.54) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL21237691 0.77 PARP14 (0.50) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL21186938 0.76 ALOX5 (0.44) GPR3ALOX5PARP14MAPTPTPN1
SCHEMBL17383117 0.76 PARP14 (0.49) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL22727676 0.76 PARP14 (0.46) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL29696464 0.76 ALOX5 (0.46) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL15497424 0.74 GPR3 (0.68) GPR3ALOX5PARP14MAPTRAB9A

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
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed