SCHEMBL29630944

SCHEMBL29630944

O=C1c2ccccc2CN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ACHE P22303 2/20 0.60
ALOX15 P16050 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
MAPT P10636 2/20 0.57
APAF1 O14727 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 1/20 0.55
PARP1 P09874 1/20 0.55
HDAC4 P56524 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
DHPS P49366 1/20 0.51
PREP P48147 1/20 0.50

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
SCHEMBL1466305 1.00 KMT2A (0.60) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL2026453 0.90 HDAC1 (0.60) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL2192290 0.90 HDAC1 (0.56) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL12604850 0.89 KMT2A (0.57) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL31252762 0.88 KMT2A (0.60) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL2024397 0.88 KMT2A (0.60) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL2024433 0.87 KMT2A (0.59) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL2024836 0.87 KMT2A (0.66) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL31666975 0.87 HDAC1 (0.60) KMT2AMEN1ACHEALOX15KDM4E
SCHEMBL31667008 0.87 KMT2A (0.62) KMT2AMEN1ACHEALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507177-B Method for preparing functionalized 2- (3-oxo-isoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2023-11-21 CN disclosed
CN-114507177-A Method for preparing functionalized 2- (3-oxoisoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2022-05-17 CN disclosed