SCHEMBL12721687

SCHEMBL12721687

N#Cc1cc(/C=C/c2cc[n+](CCP(=O)(O)O)cc2)c(C#N)cc1/C=C/c1cc[n+](CCP(=O)(O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL11965282 0.76 RAB9A (0.47) CHATMEN1USP2ALDH1A1LMNA
SCHEMBL18098698 0.74 MEN1 (0.32) MEN1USP2RAB9AKMT2A
SCHEMBL19241121 0.74 KDM4A (0.33) CHATMEN1USP2ALDH1A1LMNA
SCHEMBL18098645 0.72 MEN1 (0.39) CHATMEN1USP2RAB9AKMT2A
SCHEMBL14000552 0.68 CHAT (0.35) CHATMEN1USP2ALDH1A1LMNA
SCHEMBL1226951 0.68 MEN1 (0.39) MEN1ALDH1A1LMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL602419 0.66 SLC22A12 (0.32) —
Hydrochloric Acid SCHEMBL210855 0.66 MEN1 (0.38) MEN1ALDH1A1LMNAMAPTRAB9A
Bromide SCHEMBL918125 0.66 MEN1 (0.38) MEN1ALDH1A1LMNAMAPTRAB9A
SCHEMBL12671708 0.66 NFE2L2 (0.47) ALDH1A1

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
WO-2011046222-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2011-04-21 — — WO disclosed
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