SCHEMBL9054601

SCHEMBL9054601

CNCn1cc(C(=O)O)c(=O)[nH]c1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM3B Q7LBC6 3/20 0.39
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 2/20 0.37
DDO Q99489 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.33
KDM6B O15054 3/20 0.33
KDM4A O75164 3/20 0.33
KDM4D Q6B0I6 3/20 0.33
HIF1AN Q9NWT6 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33

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
SCHEMBL425895 0.84 KMT2A (0.49) KMT2ACYP2C9DDOMAPTKDM4E
SCHEMBL815121 0.83 KDM3B (0.42) KDM3BKMT2ACYP2C9DDOMAPT
SCHEMBL7545848 0.74 KDM3B (0.46) KDM3BKMT2ACYP2C9DDOMAPT
SCHEMBL10823650 0.69 KMT2A (0.53) KMT2ACYP2C9DDOMAPTKDM4E
SCHEMBL5983288 0.68 KMT2A (0.44) KMT2ACYP2C9DDOMAPTKDM4E
SCHEMBL4950435 0.67 KMT2A (0.50) KDM3BKMT2ACYP2C9DDOMAPT
SCHEMBL9054602 0.67 KDM3B (0.39) KDM3BKMT2AMAPTKDM4EGAA
SCHEMBL31282172 0.66 KMT2A (0.49) KMT2ACYP2C9DDOMAPTKDM4E
SCHEMBL4278691 0.66 PKM (0.38) ALDH1A1LMNAPKM
SCHEMBL10823643 0.66 HTT (0.56) KMT2ACYP2C9DDOMAPTKDM4E

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
WO-1996008559-A1 GLYCOSAMINOGLYCAN-DEGRADING ENZYME INHIBITION AND RESULTANT DISEASE THERAPIES CARDIAC CRC NOMINEES PTY. LTD. (AU) 1996-03-21 WO disclosed