SCHEMBL19441771

SCHEMBL19441771

N#Cc1ccccc1-[n+]1ccc(-c2cc[n+](Cc3nc4ccccc4nc3C[n+]3ccc(-c4cc[n+](-c5ccccc5C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL19441776 0.82 BCHE (0.39) BCHEACHEALDH1A1KDM4ERAB9A
SCHEMBL17996806 0.80 RAB9A (0.38) ACHEALDH1A1LMNAKDM4ERAB9A
SCHEMBL18012027 0.80 BCHE (0.47) BCHEACHEALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL16563140 0.78 BCHE (0.46) BCHEACHEALDH1A1KDM4EGAA
SCHEMBL19618717 0.77 — —
Hydrochloric Acid SCHEMBL2866117 0.74 BCHE (0.41) BCHEACHELMNAKDM4ERAB9A
SCHEMBL19441787 0.73 DRD4 (0.32) DRD4DRD3
SCHEMBL18012043 0.68 BCHE (0.41) BCHEACHEALDH1A1TSHR
SCHEMBL17996794 0.68 BCHE (0.41) BCHEACHEALDH1A1TSHR
SCHEMBL16563147 0.67 BCHE (0.38) BCHEACHETSHR

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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