SCHEMBL9835971

SCHEMBL9835971

O=C1Cc2c(ccc3c2OCO3)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NQO2 P16083 2/20 0.39
LMNA P02545 2/20 0.38
GSK3B P49841 1/20 0.37
DRD2 P14416 6/20 0.37
ADRA1A P35348 5/20 0.37
ADRA1D P25100 4/20 0.37
SLC6A4 P31645 4/20 0.37
ADRA1B P35368 4/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL4786408 0.86 DRD2 (0.37) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL7412400 0.77 DRD2 (0.36) LMNAGSK3BDRD2ADRA1AADRA1D
SCHEMBL10305227 0.75 CREBBP (0.40) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL18289479 0.74 AHR (0.50) LMNAGSK3BDRD2ADRA1ADRD4
SCHEMBL7478754 0.72 AHR (0.42) POLBMAPTHSD17B10NQO2GSK3B
SCHEMBL13222379 0.72 DRD2 (0.42) LMNADRD2ADRA1AADRA1DSLC6A4
SCHEMBL13243255 0.72 DRD2 (0.42) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL3032145 0.72 DRD2 (0.42) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL8122818 0.72 DRD2 (0.42) DRD2ADRA1AADRA1DSLC6A4ADRA1B
SCHEMBL3026960 0.72 DRD2 (0.42) DRD2ADRA1AADRA1DSLC6A4ADRA1B

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 3 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