SCHEMBL9722754

SCHEMBL9722754

COC(=O)c1cc(C(=O)c2ccccc2)sc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
MAPT P10636 8/20 0.61
HPGD P15428 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
GAA P10253 4/20 0.61
CISD2 Q8N5K1 1/20 0.51
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ADORA1 P30542 1/20 0.49
TSHR P16473 1/20 0.47
HSD17B10 Q99714 5/20 0.46
GLA P06280 3/20 0.46
USP2 O75604 1/20 0.46
CFTR P13569 1/20 0.46
SLC6A3 Q01959 1/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL9722802 0.87 CISD2 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9722837 0.86 MAPT (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9722758 0.86 MAPT (0.56) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9806950 0.81 CISD2 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10891632 0.78 CISD2 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1563613 0.76 GAA (1.00) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13303999 0.75 CISD2 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24554456 0.75 KDM4E (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9400256 0.74 CISD2 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
Benzophenone SCHEMBL28865428 0.73 ALDH1A1 (0.79) ALDH1A1MAPTHPGDGAAKDM4E

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 3 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-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed