SCHEMBL20433967

SCHEMBL20433967

C/C=C(\C=C/C=O)Nc1ccc(OC)c(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL5952426 0.74 ALDH1A1 (0.59) LMNAPOLBALDH1A1MAPTHTT
SCHEMBL13180237 0.72 KMT2A (0.50) LMNAPOLBALDH1A1MAPTHTT
SCHEMBL13374001 0.71 MAPT (0.43) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL28797218 0.71 SMN1; SMN2 (0.50) LMNAALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL11440496 0.68 LMNA (0.46) LMNAMAPTHTTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL4079309 0.67 TAAR1 (0.44) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL11447864 0.67 LMNA (0.45) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL14452372 0.67 L3MBTL1 (0.61) LMNASMN1; SMN2GAA
SCHEMBL13892487 0.64 CNR1 (0.33) LMNAPOLBALDH1A1MAPTHTT
SCHEMBL4985136 0.64 GABRA1 (0.47) LMNAPOLBALDH1A1MAPTHTT

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-2935253-B1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2018-08-01 — — EP disclosed
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