SCHEMBL17366600

SCHEMBL17366600

C/C(=C(/C)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.71
▸ CACNA1B Q00975 1/20 0.70
▸ APBA1 Q02410 1/20 0.70
▸ HDAC2 Q92769 2/20 0.69
▸ HDAC8 Q9BY41 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ KMT2A Q03164 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ SIRT1 Q96EB6 1/20 0.63
▸ HTT P42858 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ KCNK3 O14649 1/20 0.60
▸ KCNK9 Q9NPC2 1/20 0.60

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
SCHEMBL1315526 0.89 PTPN1 (0.87) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL1128154 0.88 KMT2A (0.78) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL14715847 0.87 PTPN1 (0.84) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL26953087 0.85 PTPN1 (0.88) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL24202631 0.85 SIRT1 (0.83) PTPN1CACNA1BAPBA1HDAC2HDAC8
N-Phenylbenzamide SCHEMBL5402750 0.85 SIRT1 (0.83) PTPN1CACNA1BAPBA1HDAC2HDAC8
N-Phenylbenzamide SCHEMBL31966 0.85 SIRT1 (0.83) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL178425 0.84 RAB9A (0.85) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL3659389 0.83 FFAR1 (0.79) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL30549187 0.83 PTPN1 (1.00) PTPN1HDAC2HDAC8HDAC6KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290592-B2 Poly(diphenylacetylene) compound, preparation method therefor, and use thereof as optical isomer separating agent NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2016-03-22 — — US disclosed
US-20150376309-A1 NEW POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT National University Corporation Kanazawa University of Ishikawa ,Japan 2015-12-31 — — US disclosed
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