SCHEMBL28359673

SCHEMBL28359673

N#Cc1cc2cccc3c2c(c1C#N)C(=O)NC3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHEK1 O14757 2/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ STK10 O94804 1/20 0.38
▸ SLK Q9H2G2 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ PARG Q86W56 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL13606629 0.84 NPSR1 (0.52) PARP1NPSR1MEN1KMT2APKM
SCHEMBL13606633 0.84 NPSR1 (0.52) PARP1NPSR1MEN1KMT2APKM
SCHEMBL17045725 0.81 PARP1 (0.58) PARP1NPSR1MEN1KMT2APKM
SCHEMBL28429441 0.77 ALDH1A1 (0.41) MEN1KMT2AMCL1CA1CA2
SCHEMBL5051981 0.75 PARP1 (0.62) PARP1NPSR1MEN1KMT2APKM
SCHEMBL9489040 0.73 GSK3B (0.46) PARP1NPSR1MEN1KMT2ACHEK1
SCHEMBL11426926 0.72 PARP1 (0.42) PARP1MEN1KMT2ACHEK1WEE1
SCHEMBL29704524 0.72 GSK3B (0.45) PARP1NPSR1MEN1KMT2ACHEK1
SCHEMBL31241414 0.71 CES1 (0.63) PARP1NPSR1MEN1KMT2APKM
SCHEMBL3079295 0.71 CES1 (0.63) PARP1NPSR1MEN1KMT2APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480565-B Silicon naphthalocyanine cathode interface material and preparation method and application thereof 南昌大学 2022-07-05 — — CN disclosed
CN-113480565-A Silicon naphthalocyanine cathode interface material and preparation method and application thereof 南昌大学 2021-10-08 — — CN disclosed
CN-110684041-A Naphthalocyanine acceptor material, synthetic method thereof and solar cell 南昌大学 2020-01-14 — — CN disclosed
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