SCHEMBL17740649

SCHEMBL17740649

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5c4sc4ccccc45)cc3)cc2)c2cc3ccccc3c3c2sc2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ GPR84 Q9NQS5 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL25880728 0.95 LIMK1 (0.33) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL25881150 0.94 TNKS (0.38) TNKSTNKS2NQO1NQO2PTPN1
SCHEMBL17740546 0.94 PTPN1 (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL25880585 0.94 TNKS (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL25880855 0.94 TNKS (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL24656442 0.92 NQO1 (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL19660375 0.91 ALOX5 (0.34) TNKSTNKS2GPR84NQO1NQO2
SCHEMBL25880362 0.91 F9 (0.37) GPR84NQO1NQO2ALOX5
SCHEMBL25884866 0.90 ALOX5 (0.47) TNKSTNKS2GPR84ALOX5ELANE
SCHEMBL25880736 0.90 GPR84 (0.33) TNKSTNKS2GPR84ALOX5MAPT

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-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — WO disclosed
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