SCHEMBL1644901

SCHEMBL1644901

CCCCc1ccccc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL607963 0.95 MAPK1 (0.54) MAPK1POLBCYP1A2CYP2C19TSHR
SCHEMBL1644885 0.89 MAPK1 (0.59) MAPK1POLBCYP1A2CYP2C19TSHR
SCHEMBL29580948 0.88 POLB (0.64) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15094123 0.88 POLB (0.64) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2019462 0.86 POLB (0.58) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL8868044 0.86 ALDH1A1 (0.50) MAPK1POLBCYP1A2CYP2C19TSHR
SCHEMBL29581320 0.86 POLB (0.54) MAPK1POLBALDH1A1HDAC3HDAC4
SCHEMBL1954254 0.86 POLB (0.54) MAPK1POLBALDH1A1HDAC3HDAC4
SCHEMBL8419387 0.86 ALDH1A1 (0.50) MAPK1POLBCYP1A2CYP2C19TSHR
SCHEMBL11427531 0.85 CYSLTR2 (0.46) MAPK1POLBCYP1A2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed
JP-2002512230-A 2002-04-23 JP claimed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP claimed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO claimed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
EP-1770086-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed
CN-1014060-B METHOD FOR PREPARAING ORTHO-AZONAPHTHALENE COMPOUND IMP CHEMICAL IND PAN AMERICAL (US) 1991-09-25 CN disclosed
EP-0205272-B1 CINNOLINE DERIVATIVES ICI AMERICAS INC. (US) 1991-08-14 EP disclosed
US-4886800-A Substituted cinnoline derivatives as CNS depressants ICI AMERICAS INC. (US) 1989-12-12 US disclosed
CN-86104358-A The preparation method of cinnoline compound 1987-04-01 CN disclosed
EP-0205272-A2 Cinnoline derivatives ICI AMERICAS INC. (US) 1986-12-17 EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 EP disclosed