SCHEMBL30717271

SCHEMBL30717271

COc1ccc2n[13c](O)[13c](O)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 4/20 0.68
POLB P06746 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 1/20 0.68
LMNA P02545 1/20 0.68
NQO2 P16083 1/20 0.68
MAPT P10636 4/20 0.53
THRB P10828 2/20 0.53
BLM P54132 2/20 0.53
CASP6 P55212 1/20 0.53
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
PTPN7 P35236 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL30717269 1.00 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL30717270 1.00 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1160711 1.00 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL14734394 0.89 KDM4E (0.59) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL19073465 0.89 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1160600 0.87 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL1579980 0.87 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL19545391 0.87 MEN1 (0.58) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL10214298 0.87 MEN1 (0.87) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL12637535 0.83 TRIM24 (0.54) KMT2AMEN1ALDH1A1KDM4EPOLB

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
CN-117310019-A Method for detecting oxalic acid by using isotope dilution high performance liquid chromatography tandem mass spectrometry 江苏吉诺思美精准医学科技有限公司 2023-12-29 CN claimed
CN-117310019-A Method for detecting oxalic acid by using isotope dilution high performance liquid chromatography tandem mass spectrometry 江苏吉诺思美精准医学科技有限公司 2023-12-29 CN disclosed