SCHEMBL19901310

SCHEMBL19901310

Cc1cccc(S(=O)(=O)c2cccc(O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
CA2 P00918 1/20 0.51
KMT2A Q03164 1/20 0.49
HSD17B1 P14061 4/20 0.48
HSD17B2 P37059 4/20 0.48
ABCC9 O60706 2/20 0.46
ABCC8 Q09428 2/20 0.46
KCNJ11 Q14654 2/20 0.46
KCNJ8 Q15842 2/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FBP1 P09467 4/20 0.43
KAT6A Q92794 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL29468572 0.88 KMT2A (0.59) ACHEKMT2AABCC9ABCC8KCNJ11
SCHEMBL822302 0.88 KMT2A (0.59) ACHEKMT2AABCC9ABCC8KCNJ11
SCHEMBL10340796 0.88 CA2 (0.61) CA2KMT2AHSD17B1HSD17B2ABCC9
SCHEMBL31146723 0.88 CA2 (0.61) CA2KMT2AHSD17B1HSD17B2ABCC9
SCHEMBL69135 0.88 CA2 (0.61) CA2KMT2AHSD17B1HSD17B2ABCC9
SCHEMBL9788125 0.87 RAPGEF4 (0.56) ACHEKMT2AABCC9ABCC8KCNJ11
SCHEMBL15607666 0.86 KMT2A (0.57) ACHECA2KMT2AABCC9ABCC8
Hydrochloric Acid SCHEMBL11279258 0.86 KMT2A (0.57) ACHEKMT2AABCC9ABCC8KCNJ11
SCHEMBL10587183 0.86 CA2 (0.59) CA2KMT2AHSD17B1HSD17B2ABCC9
SCHEMBL10860256 0.86 CA2 (0.59) CA2KMT2AHSD17B1HSD17B2ABCC9

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
EP-3212614-B1 PROCESS FOR MAKING BENZOXAZINES CYTEC IND INC (US) 2019-05-01 EP disclosed
US-9902706-B2 Process for making benzoxazines CYTEC INDUSTRIES INC. (US) 2018-02-27 US disclosed