SCHEMBL29110623

SCHEMBL29110623

O=C1C=CC(=O)N1c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.55
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ ALKBH3 Q96Q83 3/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ PAX8 Q06710 2/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ TP53 P04637 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALPG P10696 1/20 0.49

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
SCHEMBL20472708 0.81 BCHE (0.54) AURKABCHEACHEKDM4EALKBH3
SCHEMBL11700921 0.81 AURKA (0.54) AURKABCHEACHEKDM4EALKBH3
SCHEMBL27869264 0.79 KDM4E (0.56) AURKABCHEACHEKDM4EALKBH3
SCHEMBL31727716 0.78 BCHE (0.55) AURKABCHEACHEKDM4EALKBH3
SCHEMBL10892370 0.76 KDM4E (0.50) AURKABCHEACHEKDM4EALKBH3
SCHEMBL179732 0.74 NPC1 (0.58) ACHEKDM4ENPC1RAB9ATP53
SCHEMBL27864664 0.74 PDE10A (0.53) AURKABCHEACHEKDM4EALKBH3
SCHEMBL240601 0.74 BCHE (0.50) AURKABCHEACHEKDM4EALKBH3
SCHEMBL13509622 0.73 HPGD (0.50) AURKABCHEACHEKDM4EALKBH3
SCHEMBL15190212 0.72 AURKA (0.53) AURKABCHEACHEKDM4EALKBH3

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
CN-115685673-A Photosensitive composition, optical filter, image display device, and solid-state imaging element 东洋油墨SC控股株式会社 2023-02-03 — — CN disclosed
Send feedback