SCHEMBL27497553

SCHEMBL27497553

CC(=O)Oc1cc2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
DAO P14920 1/20 0.49
MAPT P10636 2/20 0.48
SLC9A1 P19634 1/20 0.45
AHR P35869 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4198025 0.86 MCL1 (0.57) MCL1DAOMAPTSLC9A1KMT2A
SCHEMBL23168121 0.81 POLB (0.46) MCL1DAOMAPTKMT2AKDM4E
SCHEMBL6471856 0.80 MCL1 (0.39) MCL1DAOMAPTKDM4EALDH1A1
SCHEMBL27791408 0.80 CYP3A4 (0.41) KDM4ECA12CA9
SCHEMBL9266851 0.80 MCL1 (0.46) MCL1DAOMAPTSLC9A1KMT2A
SCHEMBL27783799 0.79 MCL1 (0.56) MCL1
SCHEMBL29187769 0.78 ALDH1A1 (0.60) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL30193576 0.76 KMT2A (0.50) MCL1DAOMAPTAHRKMT2A
SCHEMBL4912683 0.76 KMT2A (0.50) MCL1DAOMAPTAHRKMT2A
SCHEMBL1122105 0.75 OXER1 (0.44) MCL1KMT2ASMN1; SMN2

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-1182086-A New bisimide compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1998-05-20 CN disclosed