SCHEMBL31522194

SCHEMBL31522194

Oc1cc(C2CC2)nn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ KCNJ6 P48051 14/20 0.51
▸ KCNJ3 P48549 14/20 0.51
▸ KCNJ5 P48544 9/20 0.51
▸ CRACR2A Q9BSW2 1/20 0.46

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
SCHEMBL1011586 0.81 RAB9A (0.88) NPC1LMNATP53PKMRAB9A
SCHEMBL22896928 0.80 ALDH1A1 (0.55) NPC1LMNATP53PKMRAB9A
SCHEMBL28330785 0.79 NPC1 (0.56) NPC1LMNATP53PKMRAB9A
SCHEMBL19377699 0.77 KEAP1 (0.52) NPC1LMNATP53PKMRAB9A
SCHEMBL4513114 0.77 KCNJ6 (0.72) KCNJ6KCNJ3KCNJ5
SCHEMBL17580180 0.77 KCNJ6 (0.55) NPC1LMNATP53PKMRAB9A
SCHEMBL1013974 0.75 RAB9A (0.94) NPC1LMNATP53PKMRAB9A
SCHEMBL15727520 0.75 RAB9A (1.00) NPC1LMNATP53PKMRAB9A
SCHEMBL23203519 0.75 KCNJ6 (0.65) NPC1LMNATP53PKMRAB9A
SCHEMBL30672491 0.75 NPC1 (0.51) NPC1LMNATP53PKMRAB9A

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-120058611-A 1-Aryl-5-pyrazolone compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-30 — — CN disclosed
CN-119930520-A N-aryl pyrazole compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-06 — — CN disclosed
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