SCHEMBL28877472

SCHEMBL28877472

CC(=O)Oc1cc(O)cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
TOP1 P11387 2/20 0.45
RXFP1 Q9HBX9 4/20 0.45
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASR P41180 1/20 0.42
HTR2A P28223 1/20 0.41
TSPO P30536 1/20 0.41
GPR183 P32249 1/20 0.41
APLNR P35414 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28877451 0.87 TOP1 (0.45) KMT2ATOP1ALDH1A1MEN1MAPT
SCHEMBL28877404 0.83 TOP1 (0.49) KMT2AATMTOP1RXFP1ALDH1A1
SCHEMBL30031710 0.81 TERT (0.44) KMT2AATMRXFP1ALDH1A1HTT
SCHEMBL30032274 0.81 LMNA (0.48) KMT2ARXFP1ALDH1A1MEN1MAPT
SCHEMBL23796597 0.81 TERT (0.44) KMT2AATMRXFP1ALDH1A1HTT
SCHEMBL23796816 0.81 LMNA (0.48) KMT2ARXFP1ALDH1A1MEN1MAPT
SCHEMBL28877392 0.78 TOP1 (0.44) KMT2ATOP1RXFP1ALDH1A1MEN1
SCHEMBL28877400 0.77 KMT2A (0.55) KMT2ARXFP1ALDH1A1HTTMEN1
SCHEMBL23796684 0.76 BCAT2 (0.45) KMT2ARXFP1ALDH1A1MEN1CASR
SCHEMBL30030700 0.76 BCAT2 (0.45) KMT2ARXFP1ALDH1A1MEN1CASR

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