SCHEMBL9836593

SCHEMBL9836593

O=C1Cc2c(cccc2C(=O)c2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
WDR91 A4D1P6 1/20 0.45
AKR1C3 P42330 1/20 0.44
DHPS P49366 1/20 0.44
AHR P35869 1/20 0.43
PDK2 Q15119 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4407214 0.83 CRBN (0.50) CRBNWDR91DHPSAHRPDK2
SCHEMBL9375284 0.79 CRBN (0.49) CRBNWDR91DHPSAHRPDK2
SCHEMBL9836689 0.79 CRBN (0.49) CRBNWDR91DHPSAHRPDK2
SCHEMBL9667584 0.75 SMYD3 (0.53) CRBNAKR1C3AHRPDK2GAA
SCHEMBL5362141 0.75 CCNB2 (0.48) CRBNWDR91DHPSCCNB2CDK1
SCHEMBL10809901 0.75 DHPS (0.74) WDR91DHPSGAAMAPT
SCHEMBL4410729 0.74 DRD2 (0.50) CRBNWDR91DHPSCCNB2CDK1
SCHEMBL4927938 0.73 AKR1C3 (0.53) AKR1C3GAAMAPT
SCHEMBL5842829 0.72 CREBBP (0.62) WDR91
SCHEMBL5893591 0.72 TSHR (0.51) CRBNWDR91CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3975531-A ANTIINFLAMMATORY A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-17 US claimed
EP-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 EP disclosed
CN-86105309-A Oxindole-3-carbonyl amines the compound that replaces as the 1-of anti-inflammatory and anodyne 1987-01-14 CN disclosed
US-4182774-A Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts thereof A. H. ROBINS COMPANY, INCORPORATED (US) 1980-01-08 US disclosed
US-4126635-A ANTICHOLESTEROL, BLOOD PLATELET AGGREGATION INHIBITION A. H. ROBINS COMPANY, INCORPORATED (US) 1978-11-21 US disclosed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US disclosed
US-3975531-A ANTIINFLAMMATORY A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-17 US disclosed