SCHEMBL10944877

SCHEMBL10944877

Cc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.76
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ENPP2 Q13822 1/20 0.46
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46

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
SCHEMBL11694568 0.87 APEX1 (0.74) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL10876642 0.87 APEX1 (0.77) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL11593854 0.87 APEX1 (0.81) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL10877295 0.86 APEX1 (0.77) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL1413131 0.86 APEX1 (1.00) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL9411865 0.86 APEX1 (1.00) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL11595946 0.86 APEX1 (0.72) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL5567709 0.86 APEX1 (0.76) APEX1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11597022 0.85 APEX1 (0.71) APEX1KMT2AMEN1ALDH1A1NPC1
SCHEMBL11581467 0.85 APEX1 (0.71) APEX1KMT2AMEN1ALDH1A1L3MBTL1

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-4545785-A FIBER-REACTIVE DYES FOR CELLULOSE CIBA-GEIGY CORPORATION (US) 1985-10-08 US disclosed
EP-0122881-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-24 EP disclosed