SCHEMBL7546573

SCHEMBL7546573

FC(F)(F)c1cccc(Nc2[c]cccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
AURKA O14965 2/20 0.51
LMNA P02545 3/20 0.50
IDH2 P48735 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
GMNN O75496 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
UGT1A1 P22309 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PMP22 Q01453 1/20 0.50
DHODH Q02127 1/20 0.50
KMT2A Q03164 1/20 0.50
TEAD4 Q15561 1/20 0.50

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
SCHEMBL6663767 0.78 AURKA (0.72) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL31501743 0.78 AURKA (0.72) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL9833566 0.77 HTR3E (0.47) KMT2AGRM4EGFRABCG2HTT
SCHEMBL8725876 0.76 HSD17B10 (0.42) AURKAALDH1A1MEN1NFKB1PTGS1
SCHEMBL394991 0.75 KIF11 (0.70) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL30754777 0.74 LMNA (0.65) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL4656669 0.74 CTSC (0.65) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL30128849 0.74 CTSC (0.65) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL693983 0.74 IDH2 (0.54) KIF11AURKALMNAIDH2ALDH1A1
SCHEMBL1921482 0.71 KIF11 (0.70) KIF11AURKAIDH2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002048102-A2 ISOCOUMARIN INHIBITING PRODUCTION OF AMYLOID PEPTIDE, PREPARATION, COMPOSITIONS CONTAINING SAME AND USES TROPHOS (FR) 2002-06-20 WO claimed
US-4900749-A Isoprenoidamine compounds useful as antiulcer agents SHIONOGI & CO., LTD. (JP) 1990-02-13 US claimed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US claimed
CN-107847484-B Nitroxide free radicals for the treatment of respiratory diseases 耶路撒冷希伯来大学伊森姆研究发展公司 2021-07-06 CN disclosed
WO-2002048102-A2 ISOCOUMARIN INHIBITING PRODUCTION OF AMYLOID PEPTIDE, PREPARATION, COMPOSITIONS CONTAINING SAME AND USES TROPHOS (FR) 2002-06-20 WO disclosed
EP-0428437-B1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-17 EP disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP disclosed
EP-0195582-B1 5-AMINOSALICYLIC ACID DERIVATIVES OF NON-STEROIDAL ANTIINFLAMMATORY ACIDS SMITH KLINE DAUELSBERG GmbH (DE) 1990-01-24 EP disclosed
US-4851443-A NON-STEROIDAL ANTIINFLAMMATORY; DERIVATIVES OF 5-AMINOSALICYLIC ACID SMITH KLINE DAUELSBERG, GMBH (DE) 1989-07-25 US disclosed
US-4783487-A N-(1-carboxy-2-hydroxy-5-phenyl)-2-(6-methoxy-2-naphthyl)propionamide and anti-inflammatory use thereof SMITH KLINE DAUELSBERG GMBH (DE) 1988-11-08 US disclosed
WO-1986005485-A1 AMIDES OF NON-STEROIDAL ANTI-INFLAMMATORY CARBOXYLIC ACIDS SMITH KLINE DAUELSBERG GMBH (DE) 1986-09-25 WO disclosed
EP-0195582-A1 5-Aminosalicylic acid derivatives of non-steroidal antiinflammatory acids SMITH KLINE DAUELSBERG GmbH (DE) 1986-09-24 EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed