SCHEMBL29319333

SCHEMBL29319333

C1=C(c2cccc(-c3cccc4c3sc3ccccc34)c2)C=C(c2cccc3c2sc2ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.49
▸ PRKDC P78527 7/20 0.38
▸ PARP14 Q460N5 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ DNPH1 O43598 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ F9 P00740 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21226547 0.93 ALOX5 (0.46) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL20243813 0.88 PARP14 (0.44) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL25949264 0.84 ALOX5 (0.41) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22813041 0.82 ALOX5 (0.44) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL12996531 0.80 ALOX5 (0.71) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL17827359 0.78 ALOX5 (0.69) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL29511967 0.78 ALOX5 (0.69) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL1687975 0.78 ALOX5 (0.69) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL21861230 0.78 ALOX5 (0.35) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL25943473 0.78 PRKDC (0.42) ALOX5PRKDCPIK3CDPIK3CBBRD4

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
EP-4401530-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2024-07-17 — — EP disclosed
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