SCHEMBL20055066

SCHEMBL20055066

C=Nc1ccc(C(C)C)cc1NC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MEN1 O00255 4/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ HPGD P15428 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
SCHEMBL21374130 0.84 LMNA (0.34) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL19542950 0.77 LMNA (0.40) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL30374051 0.72 NR4A2 (0.38) LMNAMAPTRAB9ATRPA1PTGS1
SCHEMBL19334606 0.69 LMNA (0.38) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL25931172 0.69 LMNA (0.52) LMNAMAPTTRPA1PTGS1CACNA1C
SCHEMBL22932069 0.69 CRHR1 (0.38) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL18417808 0.68 LMNA (0.36) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL26832263 0.68 LMNA (0.33) LMNAMAPTTRPA1PTGS1CACNA1C
SCHEMBL27309702 0.68 TRPA1 (0.36) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL21662553 0.67 BCHE (0.35) LMNAMAPTNPC1RAB9ATDP1

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
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — EP disclosed
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