SCHEMBL22136563

SCHEMBL22136563

c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)ccc2Nc2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ PARP14 Q460N5 1/20 0.37
▸ PRKDC P78527 1/20 0.35
▸ CDC25B P30305 2/20 0.35
▸ TDO2 P48775 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ S1PR5 Q9H228 3/20 0.32
▸ S1PR4 O95977 2/20 0.32
▸ MAP3K8 P41279 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ F9 P00740 1/20 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
SCHEMBL22136351 0.91 ALOX5 (0.49) ALOX5PARP14PRKDCCDC25BTDO2
SCHEMBL22136358 0.91 ALOX5 (0.53) ALOX5PARP14PRKDCTDO2MAP3K8
SCHEMBL22136581 0.89 ALOX5 (0.51) ALOX5PARP14PRKDCCDC25BTDO2
SCHEMBL22136365 0.88 ALOX5 (0.46) ALOX5PARP14PRKDCALDH1A1S1PR5
SCHEMBL22136569 0.87 CDC25B (0.35) ALOX5CDC25BALDH1A1HPGDTSHR
SCHEMBL17253912 0.87 ALOX5 (0.49) ALOX5PARP14PRKDCTDO2HPGD
SCHEMBL22136537 0.85 HSD17B1 (0.35) CDC25BALDH1A1HPGDTSHRHSD17B10
SCHEMBL22136549 0.85 PTGIR (0.36) CDC25BALDH1A1HPGDTSHRHSD17B10
SCHEMBL17661387 0.85 ALOX5 (0.43) ALOX5PARP14PRKDCCDC25BTDO2
SCHEMBL23258306 0.85 ALOX5 (0.42) ALOX5PARP14CDC25BALDH1A1HPGD

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-2020130528-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-25 — — WO disclosed
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