SCHEMBL365014

SCHEMBL365014

COc1ccc2c(C(=O)O)c3ccccc3n2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
CHRM1 P11229 1/20 0.44
KMT2A Q03164 3/20 0.44
EGFR P00533 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NR4A2 P43354 2/20 0.40
POLB P06746 2/20 0.40
GFER P55789 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
SCHEMBL365565 0.87 KMT2A (0.52) KDM4EKMT2AGAAMAPTSMN1; SMN2
SCHEMBL364594 0.87 EGFR (0.44) KDM4EKMT2AEGFRMAPTSMN1; SMN2
SCHEMBL364207 0.85 EGFR (0.47) KDM4ECHRM1KMT2AEGFRGAA
SCHEMBL364969 0.82 KDM4E (0.53) KDM4EKMT2AGAAMAPTHTT
SCHEMBL366828 0.82 PKM (0.46) KMT2AEGFRGAAALDH1A1NPSR1
SCHEMBL367564 0.82 HPGD (0.50) KDM4EKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL366362 0.82 SMN1; SMN2 (0.54) KDM4EKMT2AEGFRMAPTSMN1; SMN2
SCHEMBL365591 0.81 HPGD (0.49) KDM4EKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL365544 0.79 REN (0.53)
SCHEMBL366310 0.79 ALDH1A1 (0.52) KDM4EKMT2AMAPTSMN1; SMN2ALDH1A1

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed