SCHEMBL9722759

SCHEMBL9722759

COCCCNC(=O)c1cc(C(=O)C(C)C)sc1N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.49
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL9722804 0.87 ALOX15 (0.57) ALOX15HPGDSMN1; SMN2TAAR1
SCHEMBL9722791 0.84 TAAR1 (0.44) ALOX15ALDH1A1GAAHPGDHSD17B10
SCHEMBL9722798 0.83 ALOX15 (0.45) ALOX15SMN1; SMN2TAAR1
SCHEMBL9400256 0.77 CISD2 (0.51) ALOX15ALDH1A1GAAHPGDHSD17B10
SCHEMBL9722782 0.74 CISD2 (0.35) ALOX15ALDH1A1GAAHPGDHSD17B10
SCHEMBL8403025 0.66 ALDH1A1 (0.67) ALDH1A1GAAHPGDHSD17B10KMT2A
SCHEMBL21619296 0.66 ALDH1A1 (0.58) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL9722702 0.65 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL12017894 0.65 TSHR (0.57) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL24162932 0.64 ALDH1A1 (0.58) ALDH1A1GAAHPGDHSD17B10KDM4E

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 2 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