SCHEMBL9722802

SCHEMBL9722802

COC(=O)c1cc(C(=O)c2ccc(C)cc2)sc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 2/20 0.60
ALDH1A1 P00352 9/20 0.56
MAPT P10636 9/20 0.56
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43

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
SCHEMBL9722837 0.87 MAPT (0.51) CISD2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9722758 0.87 MAPT (0.56) CISD2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9722754 0.87 ALDH1A1 (0.61) CISD2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9806950 0.80 CISD2 (0.57) CISD2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL10891632 0.77 CISD2 (0.55) CISD2ALDH1A1MAPTGAAHPGD
SCHEMBL25106681 0.75 CISD2 (1.00) CISD2ALDH1A1MAPTHPGDMEN1
SCHEMBL13303999 0.74 CISD2 (0.52) CISD2ALDH1A1MAPTGAAHPGD
SCHEMBL2181959 0.73 ALDH1A1 (0.57) CISD2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9400256 0.73 CISD2 (0.51) CISD2ALDH1A1MAPTGAAHPGD
SCHEMBL16689452 0.72 GAA (0.49) CISD2ALDH1A1MAPTGAAL3MBTL1

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
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-5071968-A Lightfastness, compatibility with other dyes CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0388353-A1 Azodyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed