SCHEMBL21374130

SCHEMBL21374130

C=Nc1ccc(C(C)C)cc1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ GAA P10253 4/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ 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 5/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL20055066 0.84 LMNA (0.33) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL22791425 0.76 GAA (0.37) MAPTNPC1RAB9AGAACYP2C9
SCHEMBL20860302 0.76 ADRA2A (0.32) —
SCHEMBL20860303 0.73 SIGMAR1 (0.37) LMNAMAPTPTGS1GAACYP2C9
SCHEMBL26345706 0.72 LMNA (0.39) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL20987638 0.72 LMNA (0.54) LMNAMAPTTRPA1PTGS1CACNA1C
SCHEMBL19334606 0.71 LMNA (0.38) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL22537648 0.71 LMNA (0.38) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL14044154 0.71 LMNA (0.38) LMNAMAPTNPC1RAB9ATRPA1
SCHEMBL25931172 0.71 LMNA (0.52) LMNAMAPTTRPA1PTGS1CACNA1C

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-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 — — EP disclosed
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