SCHEMBL9541775

SCHEMBL9541775

O=C(CN1C(=O)C(Cc2ccc(Cl)c(Cl)c2)(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 9/20 0.42
LMNA P02545 1/20 0.42
OPRL1 P41146 2/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
SCD O00767 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 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
SCHEMBL9774461 0.79 TDP1 (0.42) TDP1ALDH1A1LMNAOPRL1L3MBTL1
SCHEMBL15156486 0.76 TP53 (0.52) ALDH1A1LMNAOPRL1MAPTL3MBTL1
SCHEMBL17830714 0.74 PTGDR2 (0.51)
SCHEMBL9544593 0.73 OPRL1 (0.50) ALDH1A1LMNAOPRL1L3MBTL1
SCHEMBL9543551 0.73 OPRL1 (0.48) ALDH1A1LMNAOPRL1L3MBTL1
Water SCHEMBL9542351 0.72 HSD17B10 (0.45) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL7638188 0.71 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1NPSR1TSHR
SCHEMBL9774451 0.71 PRKAG1 (0.43) TDP1ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL9541868 0.71 PRKAG1 (0.43) TDP1ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL4259311 0.71 ALDH1A1 (0.41) TDP1ALDH1A1LMNAGAAMAPT

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