SCHEMBL14211527

SCHEMBL14211527

Cc1c(S(=O)(=O)O)cc2cc(Nc3nc(NCCO)nc(NCCO)n3)ccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ KCNH3 Q9ULD8 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ GBA1 P04062 2/20 0.41

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
SCHEMBL14181355 0.87 CA1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL14212086 0.84 PRMT1 (0.36) CA12CA1CA2CA9CA14
SCHEMBL14228757 0.80 PRMT1 (0.54) CA12CA1CA2CA9CA14
SCHEMBL14228501 0.78 ENPP2 (0.60) CA12CA1CA2CA9CA14
SCHEMBL14228768 0.77 ENPP2 (0.57) CA12CA1CA2CA9CA14
SCHEMBL2615798 0.77 TNNI3 (0.56) ALDH1A1RECQLHPGDKMT2AMAPT
SCHEMBL13556979 0.76 PRMT1 (0.42) ALDH1A1RECQLHPGDKMT2ATHRB
SCHEMBL14181351 0.76 ALDH1A1 (0.44) ALDH1A1RECQLMCL1KCNH3HPGD
SCHEMBL4617358 0.75 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL12935328 0.75 CA12 (0.49) CA12CA1CA2CA9CA14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 — — US disclosed
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