SCHEMBL31367010

SCHEMBL31367010

Cc1cccc(C(=O)c2cc(C(=O)c3cccc(C)c3)c(C)nc2C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ PARP1 P09874 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ENPP3 O14638 2/20 0.44
▸ ALPL P05186 2/20 0.44
▸ XIAP P98170 2/20 0.44

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
SCHEMBL186545 0.80 PARP1 (0.68) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL29503529 0.80 PARP1 (0.68) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL3140072 0.80 POLB (0.62) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL31367009 0.79 ALDH1A1 (0.58) KMT2AHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL3132232 0.79 POLB (0.60) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL15264066 0.78 PARP1 (0.65) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL29738647 0.78 POLB (0.69) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL822041 0.77 PARP1 (0.63) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL21636267 0.76 POLB (0.62) POLBPARP1HDAC8HDAC6KMT2A
SCHEMBL29530873 0.76 POLB (0.72) POLBPARP1HDAC8HDAC6KMT2A

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-116143689-B Synthesis method of 2,3,5, 6-tetra-substituted pyridine compound 重庆医科大学 2025-01-28 — — CN disclosed
Send feedback