SCHEMBL5065700

SCHEMBL5065700

C=CCN1C(=O)CC(=O)N(CC=C)C1=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CASP3 P42574 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CNR1 P21554 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TNFRSF1A P19438 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11868981 0.87 MAPT (0.40) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL16116448 0.86
SCHEMBL474426 0.82 CYP3A4 (0.42) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL9560004 0.78 MAPT (0.39) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL4081505 0.77 CYP3A4 (0.46) MAPTL3MBTL1CYP3A4POLBALDH1A1
SCHEMBL926979 0.76 MAPT (0.38) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL5329421 0.75 MEN1 (0.51) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL13642111 0.72 CYP3A4 (0.38) MAPTL3MBTL1CYP3A4POLBMEN1
SCHEMBL8903951 0.72 CYP3A4 (0.46) MAPTL3MBTL1CYP3A4POLBALDH1A1
SCHEMBL288566 0.72 CYP3A4 (0.46) MAPTL3MBTL1CYP3A4POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030044644-A1 Compound for red organic EL device and organic EL device using the same LG ELECTRONICS INC. 2003-03-06 US claimed
US-4900648-A RECORDING, ERASING USING LASER BEAM, METHINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1990-02-13 US claimed
WO-2008153551-A1 METHODS OF IDENTIFYING INSECT-SPECIFIC SPIDER TOXIN MIMICS UNIVERSITY OF CONNECTICUT (US) 2008-12-18 WO disclosed
US-20030044644-A1 Compound for red organic EL device and organic EL device using the same LG ELECTRONICS INC. 2003-03-06 US disclosed
US-6451456-B1 TRIS(8-HYDROXY-QUINOLATE) ALUMINUM (ALQ.SUB.3); AND 4-(1',3'-INDANDIONE)-2-P-DIMETHYLAMINOSTYRYL-6-METHYL-4H-PYRAN LG ELECTRONICS INC. (KR) 2002-09-17 US disclosed
US-6051722-A PRECURSOR FOR POLYIMIDE COPOLYMER; USABLE IN OPTICAL LONG-DISTANCE COMMUNICATION, SIGNAL PROCESSING, PHOTOELECTRIC HYBRID CIRCUITS AND OPTICAL COMPUTERS HITACHI CHEMICAL COMPANY, LTD. (JP) 2000-04-18 US disclosed
US-5191073-A Indicators for colorimetric analysis of enzymes MILES INC. (US) 1993-03-02 US disclosed
US-5122602-A Optical indicators; medical diagnosis; quantitative analysis; immunoassay MILES INC. (US) 1992-06-16 US disclosed
US-5003077-A Having a cycloheptimidazole nucleus; photostability; methine bond having an auxochrome FUJI PHOTO FILM CO., LTD. (JP) 1991-03-26 US disclosed
EP-0383092-A2 Chromogenic merocyanine enzyme substrates Bayer Corporation (US) 1990-08-22 EP disclosed
US-4906635-A Carboxyalkyl dipeptides as antiglaucoma agents SCHERING CORPORATION (US) 1990-03-06 US disclosed
US-4902604-A CATIONIC AZULENE DERIVATIVE; PRINTING PLATES, RESISTS FUJI PHOTO FILM CO., LTD. (JP) 1990-02-20 US disclosed
US-4900648-A RECORDING, ERASING USING LASER BEAM, METHINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1990-02-13 US disclosed
US-4814265-A CONTAINING METHANE DYE FUJI PHOTO FILM CO., LTD. (JP) 1989-03-21 US disclosed
US-4389477-A Photoconductive composition sensitized by a thiobarbituric acid derivative FUJI PHOTO FILM CO., LTD. (JP) 1983-06-21 US disclosed