SCHEMBL3707181

SCHEMBL3707181

O=C(O)Cc1ccc(CN2Cc3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALOX15 P16050 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
HDAC1 Q13547 4/20 0.57
HDAC7 Q8WUI4 1/20 0.57
ENPP2 Q13822 2/20 0.51
PARP1 P09874 1/20 0.50
ACHE P22303 1/20 0.49
HDAC4 P56524 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PREP P48147 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL29630944 0.86 KMT2A (0.60) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL1466305 0.86 KMT2A (0.60) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL1065002 0.86 MEN1 (0.69) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL2019296 0.84 MEN1 (0.67) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL2026453 0.84 HDAC1 (0.60) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL27991792 0.84 KMT2A (0.62) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL31667008 0.84 KMT2A (0.62) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL31252762 0.82 KMT2A (0.60) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL2024397 0.82 KMT2A (0.60) MEN1KMT2AALOX15KDM4ETSHR
SCHEMBL31666975 0.81 HDAC1 (0.60) MEN1KMT2AALOX15KDM4ETSHR

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
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed