SCHEMBL19441776

SCHEMBL19441776

N#Cc1ccccc1-[n+]1ccc(-c2cc[n+](Cc3ccccc3C[n+]3ccc(-c4cc[n+](-c5ccccc5C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ CHKA P35790 3/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18012027 0.85 BCHE (0.47) BCHEACHEALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL16563140 0.84 BCHE (0.46) BCHEACHEALDH1A1KDM4ECYP19A1
SCHEMBL19441771 0.82 BCHE (0.38) BCHEACHEALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL2866117 0.76 BCHE (0.41) BCHEACHEKDM4ERAB9ATSHR
SCHEMBL17996813 0.76 ACHE (0.45) BCHEACHEALDH1A1KDM4ERAB9A
SCHEMBL17996794 0.73 BCHE (0.41) BCHEACHEALDH1A1TSHR
SCHEMBL18012043 0.73 BCHE (0.41) BCHEACHEALDH1A1TSHR
SCHEMBL17996812 0.73 BCHE (0.41) BCHEACHEALDH1A1KDM4ERAB9A
SCHEMBL16563147 0.72 BCHE (0.38) BCHEACHETSHR
SCHEMBL18011991 0.70 BCHE (0.41) BCHEACHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
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