SCHEMBL17987169

SCHEMBL17987169

Brc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2sc3ccccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ ALOX5 P09917 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ LIMK1 P53667 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTPN1 P18031 4/20 0.33
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ PIM3 Q86V86 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ F9 P00740 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
SCHEMBL17987425 0.99 TNKS (0.40) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987230 0.94 TNKS (0.37) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987226 0.92 TNKS (0.36) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987246 0.92 TNKS (0.38) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987239 0.91 TNKS (0.35) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987227 0.89 TNKS (0.36) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL17987439 0.88 TNKS (0.35) TNKSTNKS2ALOX5ALDH1A1L3MBTL1
SCHEMBL17987240 0.88 TNKS (0.33) TNKSTNKS2MAPTALDH1A1RAB9A
SCHEMBL19606989 0.87 TNKS (0.43) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL29312263 0.87 TNKS (0.43) TNKSTNKS2ALOX5MAPTALDH1A1

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-2016122150-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-08-04 — — WO disclosed
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