SCHEMBL30824201

SCHEMBL30824201

O=C(O)C(=CNc1ccncc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
CTSD P07339 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL2035494 0.81 ALDH1A1 (0.50) KDM4ENAPRTHTTSMN1; SMN2ALDH1A1
SCHEMBL10666751 0.79 DHODH (0.54) TAAR1POLBSTAT3SMN1; SMN2DHODH
SCHEMBL10277361 0.78 GAA (0.58) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL30824242 0.78 GAA (0.58) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL10948948 0.78 TAAR1 (0.41) TAAR1JAK2TYK2HTTSMN1; SMN2
SCHEMBL25191564 0.76 MAPT (0.47) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL11022963 0.76 NPC1 (0.44) MEN1KMT2AHTTSMN1; SMN2GAA
SCHEMBL19329260 0.76 MAOA (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1DHODH
SCHEMBL4272031 0.76 DHODH (0.41) KMT2AHTTALDH1A1DHODH
SCHEMBL10505863 0.74 CHRNB2 (0.42) JAK2TYK2L3MBTL1KMT2AHTT

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
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 CN disclosed