SCHEMBL18320554

SCHEMBL18320554

O=C(O)c1cc(C(=O)O)c2cnccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
KDM4C Q9H3R0 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 5/20 0.43
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.41
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
NAPRT Q6XQN6 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HTT P42858 2/20 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
SCHEMBL18320800 0.89 KDM4E (0.47) KDM4EKDM4CALDH1A1MEN1KDM6B
SCHEMBL5101954 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTTDP1DHODH
SCHEMBL5101784 0.81 GPR35 (0.49) KDM4EDHODHALOX15CSNK2A2CSNK2B
SCHEMBL5090085 0.81 CSNK2A2 (0.40) KDM4EALDH1A1DHODHALOX15CSNK2A2
SCHEMBL18320716 0.78 DHODH (0.47) KDM4EKDM4CALDH1A1MEN1KDM6B
SCHEMBL4251041 0.78 KDM4E (0.69) KDM4EALDH1A1DHODHGAAHTT
SCHEMBL5102002 0.78 ALOX15 (0.66) KDM4EALDH1A1TDP1L3MBTL1DHODH
SCHEMBL18321242 0.78 KDM4E (0.44) KDM4EKDM4CALDH1A1MEN1KDM6B
SCHEMBL69125 0.77 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL29450085 0.77 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ATDP1

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-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed