SCHEMBL27867442

SCHEMBL27867442

CCCCc1cn(-c2cccc3c2CC(C(=O)O)N3O)nn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 10/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ DRD2 P14416 5/20 0.38
▸ DRD3 P35462 5/20 0.38
▸ LDHA P00338 1/20 0.36

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
SCHEMBL27867431 0.87 NOTUM (0.40) DDX3XMIFLDHA
SCHEMBL27867421 0.80 MIF (0.47) DDX3XMIFLDHA
SCHEMBL27883864 0.77 LDHA (0.51) MIFLDHA
SCHEMBL27867412 0.72 LDHA (0.57) LDHA
SCHEMBL14118352 0.72 LDHA (0.63) DDX3XP2RX7MIFLDHA
SCHEMBL27867459 0.70 AADAT (0.51) —
SCHEMBL27883825 0.70 AADAT (0.51) —
SCHEMBL28309985 0.69 MIF (0.49) DDX3XP2RX7MIFDRD2DRD3
SCHEMBL29828549 0.67 MAOA (0.66) DDX3XP2RX7MIFLDHA
SCHEMBL27883834 0.67 AADAT (0.51) —

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-102639497-A Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds UNIV PISA 2012-08-15 — — CN disclosed
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