SCHEMBL25437508

SCHEMBL25437508

CC1CN(C(=O)O)CCN1S(=O)(=O)c1ccc(O)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 7/20 0.55
▸ KDM4E B2RXH2 4/20 0.54
▸ FTO Q9C0B1 3/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ ALOX15 P16050 1/20 0.43
▸ KDM6B O15054 1/20 0.41
▸ KDM6A O15550 1/20 0.41
▸ TET3 O43151 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ TET2 Q6N021 1/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 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
SCHEMBL17962413 0.87 COMT (0.50) COMTKDM4EFTOCNR1
SCHEMBL17960010 0.81 COMT (0.67) COMTKDM4EFTOALOX15
SCHEMBL17962392 0.81 COMT (0.67) COMTKDM4EFTOALOX15
SCHEMBL17960029 0.81 COMT (0.67) COMTKDM4EFTOALOX15
SCHEMBL25433799 0.81 COMT (0.74) COMTKDM4EFTOL3MBTL1
SCHEMBL17962291 0.79 COMT (0.58) COMTKDM4EFTOALOX15
SCHEMBL6500614 0.73 CNR1 (0.52) CNR1L3MBTL1
SCHEMBL17962299 0.73 COMT (0.70) COMTKDM4EFTO
SCHEMBL30574428 0.73 COMT (0.68) COMTKDM4EFTOL3MBTL1
SCHEMBL17962273 0.73 COMT (0.68) COMTKDM4EFTOL3MBTL1

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-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP claimed
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