SCHEMBL11182829

SCHEMBL11182829

O=S(=O)(Nc1cc2c(cc1Oc1ccc(Cl)cc1)CCC2)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.58
PTGS2 P35354 10/20 0.58
PTPN1 P18031 1/20 0.44
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD3 P35462 2/20 0.40
HTR6 P50406 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
CA2 P00918 1/20 0.39
PGR P06401 1/20 0.38
BRD1 O95696 2/20 0.38
BRPF1 P55201 2/20 0.38
TRIM24 O15164 1/20 0.38

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
SCHEMBL11179547 0.89 PTPN1 (0.46) PTGS1PTGS2PTPN1CA2BRD1
SCHEMBL11187994 0.87 PTGS1 (0.56) PTGS1PTGS2PTPN1HTR2CCA2
SCHEMBL11182596 0.85 PTGS2 (0.54) PTGS1PTGS2DRD2HTR2AHTR2C
SCHEMBL11180303 0.74 PTGS2 (0.52) PTGS1PTGS2HTR2CBRD1BRPF1
SCHEMBL4381246 0.73 PTGS1 (1.00) PTGS1PTGS2
SCHEMBL11179885 0.73 PTGS2 (0.53) PTGS1PTGS2HTR2CBRD1BRPF1
SCHEMBL10823326 0.73 PTGS2 (0.53) PTGS1PTGS2HTR2CBRD1BRPF1
SCHEMBL11181649 0.72 PTGS2 (0.47) PTGS1PTGS2HTR2APGR
SCHEMBL11186638 0.72 PTGS2 (0.54) PTGS1PTGS2HTR2CBRD1BRPF1
SCHEMBL11176650 0.72 PTGS2 (0.59) PTGS1PTGS2HTR2AHTR2CBRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009554-B1 INDANYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-04-27 EP claimed
US-4244960-A HERBICIDES OR ANTIINFLAMMATORY AGENTS SCHERING, AKTIENGESELLSCHAFT (DE) 1981-01-13 US claimed
EP-0009554-B1 INDANYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-04-27 EP disclosed
US-4244960-A HERBICIDES OR ANTIINFLAMMATORY AGENTS SCHERING, AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed