SCHEMBL9543560

SCHEMBL9543560

O=C(CN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALDH2 P05091 3/20 0.42
ALDH3A1 P30838 2/20 0.42
PTPN1 P18031 2/20 0.39
TRPA1 O75762 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EP300 Q09472 2/20 0.39
APP P05067 2/20 0.38
MAPT P10636 2/20 0.38
SNCA P37840 2/20 0.38
PPARG P37231 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
SCHEMBL9774421 1.00 CCKBR (0.43) CCKBRMEN1KMT2AALDH1A1ALDH2
SCHEMBL9540868 0.91 MAPT (0.47) CCKBRMEN1KMT2AALDH1A1PTPN1
SCHEMBL9540886 0.91 MAPT (0.47) CCKBRMEN1KMT2AALDH1A1PTPN1
SCHEMBL9540923 0.86 EP300 (0.48) MEN1KMT2APTPN1EP300PPARG
SCHEMBL9774480 0.86 EP300 (0.48) MEN1KMT2APTPN1EP300PPARG
SCHEMBL9774427 0.85 TRPA1 (0.42) MEN1KMT2AALDH1A1PTPN1TRPA1
SCHEMBL9541539 0.85 TRPA1 (0.42) MEN1KMT2AALDH1A1PTPN1TRPA1
SCHEMBL9540933 0.84 EP300 (0.45) MEN1KMT2AALDH1A1PTPN1ABL1
SCHEMBL9774452 0.84 EP300 (0.45) MEN1KMT2AALDH1A1PTPN1ABL1
SCHEMBL17830710 0.81 ALDH1A1 (0.64) CCKBRKMT2AALDH1A1ALDH2ALDH3A1

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