SCHEMBL9722798

SCHEMBL9722798

CC(C)C(=O)c1cc(C(=O)NCCOS(=O)(=O)O)c(N)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.45
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 6/20 0.39
CA3 P07451 6/20 0.39
CA4 P22748 6/20 0.39
CA6 P23280 6/20 0.39
CA5A P35218 6/20 0.39
CA7 P43166 6/20 0.39
CA13 Q8N1Q1 6/20 0.39
CA14 Q9ULX7 6/20 0.39
CA5B Q9Y2D0 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
CISD2 Q8N5K1 1/20 0.32

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
SCHEMBL9722759 0.83 ALOX15 (0.49) ALOX15TAAR1SMN1; SMN2
SCHEMBL9722791 0.82 TAAR1 (0.44) ALOX15TAAR1CA1CA2CA9
SCHEMBL9722804 0.80 ALOX15 (0.57) ALOX15TAAR1CA1CA2CA9
SCHEMBL9722782 0.72 CISD2 (0.35) ALOX15TAAR1CISD2
SCHEMBL9400256 0.72 CISD2 (0.51) ALOX15CISD2
SCHEMBL10694514 0.66 LMNA (0.50) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL10690663 0.65 CA2 (0.39) CA1CA2CA9CA12CA3
SCHEMBL13380104 0.65 KMT2A (0.46) CA1CA2CA9CA12CA4
SCHEMBL24904351 0.64 HPGD (0.56) SMN1; SMN2
SCHEMBL23417255 0.63 NPC1 (0.63) SMN1; SMN2

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