SCHEMBL21346624

SCHEMBL21346624

C=C/C=N\C(=C/C=C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ APP P05067 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ SARM1 Q6SZW1 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ SIRT4 Q9Y6E7 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TBXAS1 P24557 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ PLOD2 O00469 1/20 0.36
▸ CYP19A1 P11511 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
SCHEMBL22579814 0.87 ALDH1A1 (0.41) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL21864739 0.80 SMN1; SMN2 (0.35) ALDH1A1LMNA
SCHEMBL18792258 0.79 AKT1 (0.38) ALDH1A1
SCHEMBL22131453 0.73 ALDH1A1 (0.46) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL23011270 0.71 PARP1 (0.40) ALDH1A1HDAC6POLBLMNA
SCHEMBL20273511 0.69 PKM (0.38) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL9369392 0.69 MAPT (0.60) ALDH1A1GAAPOLBLMNA
SCHEMBL21098282 0.68 TP53 (0.49) ALDH1A1POLBCYP19A1CYP1A2PKM
SCHEMBL22627059 0.68 PKM (0.42) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL22542731 0.68 ALDH1A1 (0.41) ALDH1A1GAAAPPHCAR3HCAR2

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-20190280209-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-09-12 — — US disclosed
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