SCHEMBL28925997

SCHEMBL28925997

[N-]=[N+]=N/C(=C\c1ccc(F)cc1Br)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CAPN1 P07384 1/20 0.32
▸ CAPN2 P17655 1/20 0.32

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
SCHEMBL22620771 0.84 MAPT (0.33) PKMNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20535994 0.83 GRIK1 (0.34) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29063150 0.83 CA1 (0.37) NPC1MAPTRAB9ASMN1; SMN2CAPN1
SCHEMBL20535997 0.83 GRIK1 (0.34) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL23148058 0.83 SLC9A3 (0.36) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL23148082 0.83 PDE2A (0.36) MAPTSMN1; SMN2
SCHEMBL29062947 0.82 NPC1 (0.35) NPC1MAPTRAB9ASMN1; SMN2CAPN1
SCHEMBL22620737 0.81 MAPT (0.41) PKMMAPTRAB9A
SCHEMBL28457793 0.81 MAPT (0.41) PKMMAPTRAB9A
SCHEMBL23148042 0.77 ALDH1A1 (0.37) MAPT

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-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 — — CN disclosed
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