SCHEMBL16475551

SCHEMBL16475551

c1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LIMK1 P53667 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PRKDC P78527 1/20 0.31

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
SCHEMBL21709114 0.97 TNKS (0.36) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL16283061 0.94 ATM (0.43) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL24676110 0.94 KDM4E (0.40) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL24676601 0.94 KDM4E (0.40) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL24676626 0.94 KDM4E (0.40) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL10108650 0.93 HSD17B10 (0.35) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL16283056 0.93 L3MBTL1 (0.40) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL15137667 0.93 L3MBTL1 (0.40) TNKSTNKS2ALOX5ATMKDM4E
SCHEMBL24397725 0.93 TNKS (0.34) TNKSTNKS2ALOX5L3MBTL1LIMK1
SCHEMBL14979089 0.93 ALOX5 (0.36) TNKSTNKS2ALOX5ATMKDM4E

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-2450975-B1 Compound for organic optoelectronic device and organic light emitting diode including the same CHEIL IND INC (KR) 2014-01-08 — — EP disclosed
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