SCHEMBL8729049

SCHEMBL8729049

N#Cc1ccc(C[n+]2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.47
MAOB P27338 7/20 0.46
MAOA P21397 5/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
CHKA P35790 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4356760 0.84 CHKA (0.52) CYP2A6MAOBMAOATSHRMAPT
SCHEMBL10325407 0.82 ACHE (0.64) ACHEBCHECHKAHTT
Hydrochloric Acid SCHEMBL11602629 0.82 ALDH1A1 (0.51) MAOBMAOATSHRMAPTCHKA
Bromide SCHEMBL11309227 0.82 CHKA (0.53) ACHEMAOBMAOATSHRCHKA
Thiocyanic Acid SCHEMBL3205318 0.82 CHKA (0.48) ACHEBCHEMAPTCHKAHTT
Fluoride Ion SCHEMBL4075178 0.81 CHKA (0.49) MAOBMAOATSHRMAPTCHKA
Fluoride Ion SCHEMBL4075175 0.81 CHKA (0.49) MAOBMAOATSHRMAPTCHKA
Bromide SCHEMBL7297527 0.80 ALDH1A1 (0.58) MAOBMAOACHKAHTT
Bromide SCHEMBL2831425 0.80 ACHE (0.68) ACHEBCHECHKAHTT
Hydrochloric Acid SCHEMBL11637202 0.80 ACHE (0.61) ACHEBCHEMAPTCHKAHTT

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-0543022-B1 PROCESS FOR PRODUCING STYRENIC POLYMER AND CATALYST THEREFOR IDEMITSU KOSAN CO (JP) 1998-02-04 EP claimed