SCHEMBL9722804

SCHEMBL9722804

CCCCNC(=O)c1cc(C(=O)C(C)C)sc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.57
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
RAB9A P51151 1/20 0.43
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9722798 0.80 ALOX15 (0.45) ALOX15CA12CA1CA2CA3
SCHEMBL9722782 0.76 CISD2 (0.35) ALOX15TAAR1HPGDTP53
SCHEMBL30286125 0.73 ALOX15 (1.00) ALOX15TSHRHTTRAB9AHPGD
SCHEMBL9722702 0.72 ALOX15 (0.46) ALOX15CA12CA1CA2CA3
SCHEMBL14811748 0.71 TSHR (0.71) ALOX15TSHRHTTCA12CA1
SCHEMBL7810359 0.68 ALOX15 (0.55) ALOX15TSHRHTTCA2HPGD
SCHEMBL5674955 0.65 TSHR (0.77) ALOX15TSHRHTTHPGDSMN1; SMN2
SCHEMBL27452028 0.65 HTT (0.57) ALOX15TSHRHTTCA12CA1
SCHEMBL9364284 0.65 NAAA (0.65) ALOX15TSHRHTTCA12CA1
SCHEMBL19210845 0.65 TSHR (1.00) ALOX15TSHRHTTHPGDSMN1; 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 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