SCHEMBL22688465

SCHEMBL22688465

Brc1ccc2sc3ccc(-c4cc5ccccc5c5c4sc4ccccc45)cc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ EPM2A O95278 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PTPRC P08575 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
SCHEMBL17383059 0.88 CYP2A6 (0.41) ALOX5PTPN1RXFP1TNKSTNKS2
SCHEMBL17383055 0.88 PTPN1 (0.40) ALOX5PTPN1RXFP1TNKSTNKS2
SCHEMBL17383118 0.85 ALOX5 (0.39) ALOX5PTPN1RXFP1TNKSTNKS2
SCHEMBL18819937 0.84 MEN1 (0.40) ALOX5PTPN1EPM2APTPN2PTPN22
SCHEMBL24527204 0.81 ALOX5 (0.34) ALOX5TNKSTNKS2
SCHEMBL27012131 0.79 ALOX5 (0.41) ALOX5PTPN1TNKSTNKS2MEN1
SCHEMBL19197073 0.79 MEN1 (0.42) ALOX5PTPN1TNKSTNKS2MEN1
SCHEMBL24929474 0.78 ALOX5 (0.48) ALOX5PTPN1EPM2APTPN2PTPN22
SCHEMBL17383086 0.78 PTPN1 (0.37) ALOX5PTPN1TNKSTNKS2MEN1
SCHEMBL17382913 0.77 NQO2 (0.37) MEN1KMT2ANQO1NQO2MAPT

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-2020231197-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-11-19 — — WO disclosed
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