SCHEMBL29308052

SCHEMBL29308052

CCc1cc(CC)cc(C[n+]2ccc(-c3cc[n+](C)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ QDPR P09417 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 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
SCHEMBL17384309 1.00 CHKA (0.42) CHKAKDM4EALDH1A1RAB9ASLC22A2
SCHEMBL17384311 0.87 CHKA (0.43) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL19661292 0.80 CHKA (0.47) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL17384308 0.77 RAB9A (0.50) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL3215941 0.77 ALDH1A1 (0.68) CHKAKDM4EALDH1A1RAB9ASLC22A2
SCHEMBL13321312 0.76 CHKA (0.58) CHKABCHEACHE
SCHEMBL19695693 0.75 KMT2A (0.60) CHKAKDM4ERAB9ASLC6A4BCHE
SCHEMBL3213099 0.73 SLC22A2 (0.54) KDM4ERAB9ASLC22A2SLC22A1SLC22A3
SCHEMBL889824 0.73 KDM4A (0.51) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL17996780 0.73 KMT2A (0.68) KDM4ERAB9ASLC6A4ACHEMEN1

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-12040489-B2 Use of a battery with polyviologen active material COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2024-07-16 — — US disclosed
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