SCHEMBL9722770

SCHEMBL9722770

CCCC(=O)c1cc(NC=O)c(N)s1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OR51E2 Q9H255 1/20 0.32
LMNA P02545 1/20 0.31
STING1 Q86WV6 1/20 0.30
HSD17B3 P37058 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9722819 0.78 ALDH1A1 (0.45) ALDH1A1HPGDALOX15TSHRHSD17B10
SCHEMBL28748179 0.71 GAA (0.41) ALDH1A1ALOX15HSD17B10LMNA
SCHEMBL9722698 0.69 ALOX15 (0.37) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL9722702 0.68 ALOX15 (0.46) ALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL23330896 0.63 GSK3B (0.65) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL11635790 0.60 ALDH1A1 (0.37) ALDH1A1HPGDALOX15LMNASMN1; SMN2
SCHEMBL12123735 0.59 BCL2L1 (0.59)
SCHEMBL23509888 0.59 GPR35 (0.59) ALDH1A1HPGDALOX15TSHRRECQL
SCHEMBL4965324 0.59 GAA (0.50) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL28853186 0.58

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