Sugi Predict

Sugi Predict / Compounds / SCHEMBL30454971

SCHEMBL30454971

SCHEMBL30454971

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 7/20 0.73
▸ MET P08581 4/20 0.61
▸ NR4A2 P43354 2/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAP4K3 Q8IVH8 1/20 0.52
▸ GCK P35557 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ ALKBH1 Q13686 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL487832 1.00 MAP4K4 (0.73) MAP4K4METNR4A2NPC1RAB9A
SCHEMBL488082 0.88 MET (0.61) MAP4K4METNR4A2NPC1RAB9A
SCHEMBL30454350 0.88 MAP4K4 (0.65) MAP4K4METNR4A2HDAC8
SCHEMBL487663 0.88 MAP4K4 (0.65) MAP4K4METNR4A2HDAC8
SCHEMBL487674 0.87 MET (0.76) MAP4K4MET
SCHEMBL30453780 0.87 MET (0.76) MAP4K4MET
SCHEMBL30452824 0.87 MET (0.75) MAP4K4METMAP4K3MCL1
SCHEMBL27630242 0.87 MET (0.75) MAP4K4METMAP4K3MCL1
SCHEMBL487657 0.87 MET (0.75) MAP4K4METMAP4K3MCL1
SCHEMBL487734 0.87 MAP4K4 (0.64) MAP4K4METNR4A2

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 — — CN disclosed