SCHEMBL8730770

SCHEMBL8730770

Cc1c(-c2ccc(-c3ccc(Br)cc3)cc2)nc2ccc(F)cc2c1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.81
DHFR P00374 1/20 0.69
ALKBH5 Q6P6C2 1/20 0.69
PDE10A Q9Y233 1/20 0.62

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
SCHEMBL5793184 0.99 DHODH (0.79) DHODHDHFRALKBH5PDE10A
SCHEMBL17594376 0.92 DHODH (0.73) DHODHDHFRALKBH5
SCHEMBL23590030 0.92 DHODH (0.90) DHODHDHFRALKBH5PDE10A
SCHEMBL29617666 0.92 DHODH (0.90) DHODHDHFRALKBH5PDE10A
SCHEMBL13692410 0.90 DHODH (0.85) DHODHDHFRALKBH5PDE10A
SCHEMBL8732559 0.90 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL13524371 0.88 DHODH (0.83) DHODHDHFRALKBH5PDE10A
SCHEMBL5908719 0.87 DHODH (0.95) DHODHDHFRALKBH5PDE10A
SCHEMBL13692442 0.86 DHODH (0.80) DHODHDHFRALKBH5PDE10A
SCHEMBL2373278 0.85 DHODH (0.74) DHODHDHFRALKBH5PDE10A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537191-B1 TREATMENT OF ORGAN TRANSPLANTATION REJECTION DU PONT MERCK PHARMA (US) 1998-04-29 EP claimed
EP-0537191-A4 TREATMENT OF ORGAN TRANSPLANTATION REJECTION 1993-08-11 EP claimed
EP-0537191-A1 TREATMENT OF ORGAN TRANSPLANTATION REJECTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-21 EP claimed
US-5204329-A 4-Quinoline carboxylic acid derivatives DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-20 US claimed
EP-0339485-B1 4-QUINOLINE CARBOXYLIC ACID DERIVATIVES USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-31 EP claimed
EP-0339484-B1 4-QUINOLINE CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING SKIN AND MUCO-EPITHELIAL DISEASES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-20 EP claimed
WO-1991019498-A1 TREATMENT OF ORGAN TRANSPLANTATION REJECTION THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-26 WO claimed
US-5032597-A Antitumor DU PONT MERCK PHARMACEUTICAL (US) 1991-07-16 US claimed
EP-0133244-B1 PHENYLQUINOLINECARBOXYLIC ACIDS AND DERIVATIVES AS ANTITUMOR AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-05 EP claimed
US-4968701-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-06 US claimed
EP-0362578-A1 Treatment of cancer in mammals by concurrent administration of 4-quinoline carboxylic acid derivatives and interleukin-2 E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-11 EP claimed
EP-0339484-A1 4-Quinoline carboxylic acid derivatives useful for treating skin and muco-epithelial diseases THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-11-02 EP claimed
EP-0339485-A1 4-Quinoline carboxylic acid derivatives useful as immunosuppressive agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-11-02 EP claimed
US-4861783-A TOPICAL APPLICATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-29 US claimed
US-4680299-A ANTITUMOR AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-14 US claimed
EP-0133244-A2 Phenylquinolinecarboxylic acids and derivatives as antitumor agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-20 EP claimed
EP-0537191-B1 TREATMENT OF ORGAN TRANSPLANTATION REJECTION DU PONT MERCK PHARMA (US) 1998-04-29 EP disclosed
WO-1997042953-A1 USE OF BREQUINAR AND DERIVATIVES IN CHRONIC REJECTION OF ALLOGRAFTS AND XENOTRANSPLANTATION NOVARTIS AG (CH) 1997-11-20 WO disclosed
US-4680299-A ANTITUMOR AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-14 US disclosed
EP-0133244-A2 Phenylquinolinecarboxylic acids and derivatives as antitumor agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-20 EP disclosed