SCHEMBL9722702

SCHEMBL9722702

CCCC(=O)c1cc(C(=O)NCCO)c(N)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.46
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
ALDH1A1 P00352 5/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL9722698 0.80 ALOX15 (0.37) ALOX15ALDH1A1TAAR1KDM4EMAPT
SCHEMBL9722791 0.80 TAAR1 (0.44) ALOX15CA12CA1CA2CA3
SCHEMBL9722804 0.72 ALOX15 (0.57) ALOX15CA12CA1CA2CA3
SCHEMBL9722770 0.68 ALDH1A1 (0.33) ALOX15ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9722759 0.65 ALOX15 (0.49) ALOX15ALDH1A1TAAR1KDM4EMAPT
SCHEMBL30286125 0.63 ALOX15 (1.00) ALOX15ALDH1A1CHEK1MAPTMEN1
SCHEMBL7491639 0.63 KMT2A (0.50) ALOX15ALDH1A1KDM4EMAPTMEN1
SCHEMBL2759013 0.62 NTRK2 (0.56) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL11544355 0.62 ALDH1A1 (0.49) ALOX15CA12CA1CA2CA3
SCHEMBL23243065 0.62 ALDH1A1 (0.45) CA12CA1CA2CA3CA4

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