SCHEMBL20468563

SCHEMBL20468563

COc1ccc(/C(C#N)=C/c2c[nH]c3ccccc23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF20A O95235 2/20 0.57
▸ APP P05067 1/20 0.53
▸ POLB P06746 3/20 0.53
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ RECQL P46063 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL20468569 0.88 KIF20A (0.57) KIF20AAPPPOLBMEN1KMT2A
SCHEMBL17556118 0.84 KIF20A (0.67) KIF20AAPPPOLBMEN1KMT2A
SCHEMBL16190121 0.84 KIF20A (0.67) KIF20AAPPPOLBMEN1KMT2A
SCHEMBL11657765 0.84 KIF20A (0.71) KIF20AAPPPOLBMEN1KMT2A
SCHEMBL5613888 0.80 KDM4E (0.49) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL5613889 0.80 KDM4E (0.49) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL22950670 0.79 TUBB4A (0.59) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL30734311 0.79 TUBB4A (0.59) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL30734337 0.79 TUBB4A (0.59) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL1959686 0.79 PDE4B (0.46) MAPTRECQLHIF1ASMN1; SMN2EGFR

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
WO-2018144910-A1 METHODS OF PROTECTING AGAINST NEURODEGENERATION BIOVENTURES, LLC (US) 2018-08-09 — — WO disclosed
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