SCHEMBL27434635

SCHEMBL27434635

C=C/C=C\C(=C/C)Nc1cccc2cccc(C)c12

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30

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
SCHEMBL24227326 0.80 TTR (0.48) MEN1MAPTKMT2A
SCHEMBL25957148 0.80 MMP1 (0.33) NPC1RAB9AEGFRMMP1MMP2
SCHEMBL27401064 0.79 KMT2A (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22268029 0.74 GAA (0.42) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL26046875 0.69 KMT2A (0.33) KMT2A
SCHEMBL19057796 0.68 TGM2 (0.44) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL13588236 0.68 NPC1 (0.50) SIGMAR1NPC1RAB9AMEN1MAPT
SCHEMBL21290344 0.67 NPC1 (0.48) SIGMAR1NPC1RAB9AEGFRMMP1
SCHEMBL18401408 0.67 KMT2A (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12436948 0.66 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 — — EP disclosed
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