SCHEMBL8102928

SCHEMBL8102928

CCOC(=O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)c(C)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
STAT3 P40763 2/20 0.48
KMT2A Q03164 3/20 0.42
PIM1 P11309 1/20 0.41
IRAK1 P51617 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
PIM3 Q86V86 1/20 0.41
ROCK2 O75116 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
MARK2 Q7KZI7 1/20 0.40

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
SCHEMBL8112568 0.87 HTT (0.57) HTTSTAT3KMT2AALDH1A1KDM4E
SCHEMBL8740946 0.87 HTT (0.48) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL8102487 0.86 EPHA2 (0.43) HTTSTAT3KMT2AALDH1A1KDM4E
SCHEMBL8112077 0.85 HTT (0.60) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL5258973 0.84 KMT2A (0.57) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL7010662 0.83 HTT (0.69) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL9135730 0.82 HTT (0.52) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL10440663 0.81 HTT (0.46) HTTSTAT3KMT2AROCK2CDK1
SCHEMBL31435141 0.81 STAT3 (0.62) HTTSTAT3KMT2APIM1IRAK1
SCHEMBL10472475 0.81 STAT3 (0.62) HTTSTAT3KMT2APIM1IRAK1

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
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US claimed
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
US-5252734-A Antibacterial 5-alkylquinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1993-10-12 US disclosed
US-5140033-A For prevention or treatment of bacterial infections in humans or animals BAYER AKTIENGESELLSCHAFT (DE) 1992-08-18 US disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed