SCHEMBL20143524

SCHEMBL20143524

COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16996823 0.89 PKM (0.59) PKMLOXL2ACHERAB9ATDP1
SCHEMBL18775300 0.83 PKM (0.68) PKMLOXL2KDM4ETSHRRAB9A
SCHEMBL19892479 0.83 PKM (0.54) PKMLOXL2ACHERAB9ATDP1
SCHEMBL7401479 0.81 CA1 (0.53) POLBRXFP1TSHRADRB2ADRB1
SCHEMBL13063631 0.81 CA1 (0.53) POLBRXFP1TSHRADRB2ADRB1
SCHEMBL28445821 0.80 SAE1 (0.57) POLBRXFP1LOXL2EPHX2CYP11B1
SCHEMBL7393 0.80 CA1 (0.57) POLBRXFP1LOXL2TSHRADRB2
Bromide SCHEMBL19534955 0.79 PKM (0.53) PKMLOXL2ACHEKDM4ERAB9A
Charcoal, Activated SCHEMBL31430427 0.78 CA1 (0.55) POLBRXFP1MEN1KMT2ATSHR
Biphenyl SCHEMBL27439150 0.77 TSHR (0.58) PKMPOLBRXFP1KDM4EMEN1

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
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
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