SCHEMBL10692064

SCHEMBL10692064

Fc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 9/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ACHE P22303 1/20 0.44

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
Bromide SCHEMBL9691766 0.98 CHKA (0.58) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL13283227 0.83 CHKA (0.61) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30826134 0.82 BCHE (0.53) CHKAALDH1A1LMNASMN1; SMN2HTT
Benzyl Viologen SCHEMBL1108041 0.81 ALDH1A1 (0.74) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL93665 0.80 CHKA (0.59) CHKAALDH1A1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL2463096 0.79 ALDH1A1 (0.55) CHKAALDH1A1LMNASMN1; SMN2HTT
Bromide SCHEMBL10601001 0.79 CHKA (0.45) CHKAALDH1A1LMNASMN1; SMN2HTT
SCHEMBL10326023 0.79 CHKA (0.61) CHKAALDH1A1LMNASMN1; SMN2HTT
Benzyl Viologen SCHEMBL4079047 0.79 ALDH1A1 (0.71) CHKAALDH1A1LMNASMN1; SMN2HTT
Benzyl Viologen SCHEMBL1930045 0.79 ALDH1A1 (0.78) CHKAALDH1A1LMNASMN1; SMN2HTT

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-0256990-A1 Pyridinio compounds CIBA-GEIGY AG (CH) 1988-02-24 — — EP disclosed
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