SCHEMBL30031945

SCHEMBL30031945

O=C(Nc1ccc(S(=O)(=O)O)c(O)c1)c1cc(O)c(C(=O)Nc2ccc(S(=O)(=O)O)c(O)c2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.50
▸ KMT2A Q03164 4/20 0.45
▸ PKM P14618 1/20 0.45
▸ P2RX1 P51575 2/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ ALOX15 P16050 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ TERT O14746 1/20 0.41
▸ TNNI3 P19429 1/20 0.41
▸ TNNT2 P45379 1/20 0.41
▸ TNNC1 P63316 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 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
SCHEMBL23796489 1.00 SNCA (0.50) SNCAKMT2APKMP2RX1P2RX4
SCHEMBL23796514 0.87 SNCA (0.50) SNCAKMT2APKMP2RX1P2RX4
SCHEMBL30032694 0.87 SNCA (0.50) SNCAKMT2APKMP2RX1P2RX4
SCHEMBL23796721 0.87 KMT2A (0.57) SNCAKMT2APKMMEN1POLB
SCHEMBL23796299 0.86 ENPP2 (0.44) SNCAKMT2APKMP2RX1P2RX4
SCHEMBL30031696 0.86 ENPP2 (0.44) SNCAKMT2APKMP2RX1P2RX4
SCHEMBL23796619 0.83 TIMP3 (0.51) KMT2AP2RX1MEN1NPC1RAB9A
SCHEMBL30031931 0.83 TIMP3 (0.51) KMT2AP2RX1MEN1NPC1RAB9A
SCHEMBL23796662 0.83 AKR1C3 (0.52) KMT2APKMP2RX1P2RX4P2RX7
SCHEMBL23796947 0.83 PKM (0.49) SNCAKMT2APKMP2RX1P2RX4

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
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 — — CN claimed
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