SCHEMBL22729216

SCHEMBL22729216

CCOC(=O)c1ccc(NNC(=O)N=S(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ HPGD P15428 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ RAB9A P51151 7/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL14157352 0.82 CA1 (0.62) CA1CA2CA12ESR1CA7
SCHEMBL2384508 0.80 CA1 (0.61) CA1CA2CA12ESR1CA7
SCHEMBL20420659 0.80 GAA (0.51) HPGDRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5446847 0.77 TSHR (0.73) CA1CA2CA12ESR1CA7
SCHEMBL9011618 0.77 SMN1; SMN2 (0.61) CA1CA2CA12ESR1CA7
SCHEMBL10759919 0.75 MAPT (0.59) CA1CA2CA12ESR1CA7
SCHEMBL28849404 0.75 SMN1; SMN2 (0.72) CA1CA2CA12ESR1CA7
SCHEMBL12124929 0.74 RAB9A (0.69) CA1CA2CA12ESR1CA7
SCHEMBL87450 0.74 CA1 (0.83) CA1CA2CA12ESR1CA7
SCHEMBL410017 0.73 HPGD (0.61) CA1CA2CA12ESR1CA7

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
EP-3746309-A1 HEAT-SENSITIVE RECORDING MATERIAL Mitsubishi HiTec Paper Europe GmbH (DE) 2020-12-09 — — EP disclosed
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