SCHEMBL27769161

SCHEMBL27769161

Nc1cc2ccccc2n(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOS2 P35228 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL14159651 0.78 DAO (0.44) DAOSMN1; SMN2NOTUMBRD4ALDH1A1
SCHEMBL30349848 0.78 DAO (0.62) DAOBRD4ALDH1A1MAPTKDM4E
SCHEMBL8538250 0.78 DAO (0.62) DAOBRD4ALDH1A1MAPTKDM4E
SCHEMBL26597055 0.74 DAO (0.41) DAOPOLBSMN1; SMN2NOTUMIDO1
SCHEMBL26620879 0.74 KDM4E (0.47) DAOSMN1; SMN2BRD4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4552524 0.74 DAO (0.41) DAOSMN1; SMN2NOTUMBRD4ALDH1A1
SCHEMBL10714152 0.74 IDO1 (0.49) DAOIDO1ALDH1A1MAPTKDM4E
SCHEMBL8598225 0.74 NOS2 (0.43) DAOPOLBSMN1; SMN2NOS2NOTUM
Hydrochloric Acid SCHEMBL4552525 0.73 ALDH1A1 (0.46) DAOPOLBSMN1; SMN2BRD4ALDH1A1
SCHEMBL6287877 0.72 HTR4 (0.41) DAOIDO1KDM4EMCL1KMT2A

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-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 — — CN disclosed
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