SCHEMBL17697068

SCHEMBL17697068

Nc1c(-c2ccccc2)c2ccccc2c2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ PTPN1 P18031 3/20 0.40
▸ LIMK1 P53667 4/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPRC P08575 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
SCHEMBL17760080 0.97 L3MBTL1 (0.43) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL12425640 0.84 TNKS (0.44) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL12425520 0.81 L3MBTL1 (0.43) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL21031986 0.79 PTPN1 (0.51) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL22607155 0.78 DHFR (0.39) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL24341604 0.78 PTPN1 (0.45) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL12425546 0.78 PTPN1 (0.42) L3MBTL1TNKSTNKS2PTPN1MAPT
SCHEMBL12424994 0.77 TNKS (0.41) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL18267001 0.76 TNKS (0.41) L3MBTL1TNKSTNKS2PTPN1LIMK1
SCHEMBL19109224 0.76 LIMK1 (0.45) L3MBTL1TNKSTNKS2PTPN1LIMK1

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-2016060516-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-21 — — WO disclosed
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