SCHEMBL9835830

SCHEMBL9835830

Cc1ccc2c(c1Cl)CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.44
CMA1 P23946 1/20 0.44
P2RX7 Q99572 1/20 0.43
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PGR P06401 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL24427466 0.84 PKM (0.41) AHRCMA1HTR1AKCNH2PKM
SCHEMBL5366153 0.81 GRIA1 (0.42) AHRCMA1GRIA1CACNG8MAPT
SCHEMBL19235317 0.81 DRD2 (0.48) AHRCMA1P2RX7DRD2DRD4
SCHEMBL31528187 0.78 AHR (0.41) AHRCMA1GRIA1CACNG8MAPT
SCHEMBL31414332 0.78 AHR (0.49) AHRCMA1P2RX7DRD2DRD4
SCHEMBL23234901 0.78 AHR (0.41) AHRCMA1GRIA1CACNG8MAPT
SCHEMBL687996 0.78 DRD2 (0.46) AHRCMA1P2RX7GRIA1CACNG8
SCHEMBL8545481 0.78 AHR (0.49) AHRCMA1P2RX7DRD2DRD4
SCHEMBL18289479 0.77 AHR (0.50) AHRCMA1DRD2DRD4DRD3
SCHEMBL9836449 0.76 P2RX7 (0.54) AHRCMA1P2RX7DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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