SCHEMBL13317581

SCHEMBL13317581

O=C1NC(=O)C(=C/C=C/Nc2ccccc2)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.58
▸ MAPT P10636 8/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ APP P05067 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL13317593 0.94 METAP1 (0.55) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL13317579 0.87 METAP1 (0.60) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL12260834 0.75 ALDH1A1 (0.66) KMT2AMAPK1ALDH1A1APPRAB9A
SCHEMBL11598589 0.74 METAP1 (1.00) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL11598594 0.74 METAP1 (1.00) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL19240097 0.73 APP (0.44) MAPTKMT2AMEN1ALDH1A1APP
SCHEMBL13848523 0.72 METAP1 (0.49) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL19240095 0.71 APP (0.43) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL13317583 0.70 METAP1 (0.58) METAP1MAPTKMT2AMEN1MAPK1
SCHEMBL13317577 0.70 ALDH1A1 (0.40) METAP1MAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728222-B2 A photoelectric conversion device comprising an organic dye-sensitizing semiconductor fine particle thin film is prepared by using a dye having a barbituric acid structure as a partial structure and by adsorbing the dye on a semiconductor thin NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-01 — — US disclosed
US-7728222-B2 A photoelectric conversion device comprising an organic dye-sensitizing semiconductor fine particle thin film is prepared by using a dye having a barbituric acid structure as a partial structure and by adsorbing the dye on a semiconductor thin NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-01 — — US disclosed
EP-1367667-B1 PIGMENT SENSITIZING PHOTOELECTRIC CONVERSION ELEMENT NIPPON KAYAKU KK (JP) 2009-02-25 — — EP disclosed
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