SCHEMBL7591483

SCHEMBL7591483

C=CCNC(=O)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
KMT2A Q03164 8/20 0.68
MEN1 O00255 7/20 0.68
RXFP1 Q9HBX9 2/20 0.68
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
PKM P14618 1/20 0.64
USP2 O75604 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
NLRP3 Q96P20 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 2/20 0.57
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL821620 0.81 KMT2A (0.76) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL13598032 0.81 KMT2A (1.00) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL13598042 0.79 USP2 (0.76) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL3984110 0.78 RAB9A (0.70) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL13598035 0.78 KMT2A (1.00) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL2069110 0.78 KMT2A (0.78) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL13598043 0.78 USP2 (0.73) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL15200787 0.77 KMT2A (0.72) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL13598044 0.77 KDM4E (0.70) KDM4EKMT2AMEN1RXFP1RAB9A
SCHEMBL30919345 0.77 MEN1 (0.81) KDM4EKMT2AMEN1RXFP1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed