SCHEMBL9541539

SCHEMBL9541539

O=C(CN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
PTPN1 P18031 2/20 0.38
PPARG P37231 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARK7 Q99497 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EP300 Q09472 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
APP P05067 3/20 0.37
MAPT P10636 3/20 0.37
SNCA P37840 3/20 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
SCHEMBL9774427 1.00 TRPA1 (0.42) TRPA1PTPN1PPARGMEN1KMT2A
SCHEMBL9540886 0.90 MAPT (0.47) TRPA1PTPN1MEN1KMT2AABL1
SCHEMBL9540868 0.90 MAPT (0.47) TRPA1PTPN1MEN1KMT2AABL1
SCHEMBL9774452 0.88 EP300 (0.45) PTPN1MEN1KMT2AABL1SRC
SCHEMBL9540933 0.88 EP300 (0.45) PTPN1MEN1KMT2AABL1SRC
SCHEMBL9774421 0.85 CCKBR (0.43) TRPA1PTPN1PPARGMEN1KMT2A
SCHEMBL9543560 0.85 CCKBR (0.43) TRPA1PTPN1PPARGMEN1KMT2A
SCHEMBL9540923 0.85 EP300 (0.48) PTPN1PPARGMEN1KMT2AEP300
SCHEMBL9774480 0.85 EP300 (0.48) PTPN1PPARGMEN1KMT2AEP300
SCHEMBL10353935 0.84 PPARG (0.41) TRPA1PPARGMEN1KMT2A

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
WO-1993012786-A1 INDOLINONE DERIVATIVES HOWARD HARRY R JR (US) 1993-07-08 WO disclosed
US-5064852-A Antidiabetic agents; aldose reductase inhibitors PFIZER INC. (US) 1991-11-12 US disclosed
US-4960785-A Indolinone derivatives PFIZER INC. (US) 1990-10-02 US disclosed
EP-0252713-B1 INDOLINONE DERIVATIVES PFIZER INC. (US) 1990-09-12 EP disclosed
EP-0252713-A1 Indolinone derivatives PFIZER INC. (US) 1988-01-13 EP disclosed