SCHEMBL29601437

SCHEMBL29601437

Brc1ccccc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
PARP14 Q460N5 1/20 0.51
GPR3 P46089 1/20 0.46
PRKDC P78527 6/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
BRD4 O60885 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRDT Q58F21 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.37
HTT P42858 1/20 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
SCHEMBL3043523 1.00 ALOX5 (0.51) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL20075196 0.98 PARP14 (0.50) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL21237691 0.91 PARP14 (0.50) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL16553319 0.88 ALOX5 (0.61) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL12996528 0.86 ALOX5 (0.59) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL10018846 0.86 ALOX5 (0.59) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL431845 0.86 ALOX5 (0.59) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL429382 0.86 ALOX5 (0.59) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL21622682 0.86 GPR3 (0.43) ALOX5PARP14GPR3PRKDCMAPT
SCHEMBL17383117 0.86 PARP14 (0.49) ALOX5PARP14GPR3PRKDCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369055-B Organic compound and organic electroluminescent device comprising same 武汉尚赛光电科技有限公司 2024-06-28 CN disclosed
EP-3238286-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-17 EP disclosed
CN-114369055-A Organic compound and organic electroluminescent device comprising same 武汉尚赛光电科技有限公司 2022-04-19 CN disclosed