SCHEMBL6554627

SCHEMBL6554627

O=Cc1ccc(C[n+]2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ BCHE P06276 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHKA P35790 7/20 0.41
▸ LMNA P02545 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ KDM4A O75164 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37

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 SCHEMBL9394629 0.98 ACHE (0.52) ACHEBCHEALDH1A1CYP2A6SMN1; SMN2
SCHEMBL1426439 0.84 ALDH1A1 (0.52) ACHEALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL10325407 0.82 ACHE (0.64) ACHEBCHEALDH1A1SMN1; SMN2KDM4E
SCHEMBL4625276 0.82 KDM4A (0.47) ALDH1A1CYP2A6SMN1; SMN2MAPTKDM4E
SCHEMBL1899609 0.82 KDM4A (0.47) ALDH1A1CYP2A6SMN1; SMN2MAPTKDM4E
Bromide SCHEMBL2831425 0.80 ACHE (0.68) ACHEBCHEALDH1A1SMN1; SMN2CHKA
Hydrochloric Acid SCHEMBL11637202 0.80 ACHE (0.61) ACHEBCHEALDH1A1SMN1; SMN2MAPT
SCHEMBL20345342 0.80 ACHE (0.48) ACHEBCHEALDH1A1SMN1; SMN2MAPT
SCHEMBL17686001 0.80 BCHE (0.48) ACHEBCHEALDH1A1SMN1; SMN2CHKA
Iodide SCHEMBL30070986 0.78 BCHE (0.47) ACHEBCHEALDH1A1SMN1; SMN2CHKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 — — EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 — — US claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 — — US disclosed
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