SCHEMBL7224202

SCHEMBL7224202

CC([O])c1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5898331 0.87 NCF1 (0.47) KDM4EMAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL84436 0.85 MAPT (0.52) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL30994907 0.85 MAPT (0.52) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL19122100 0.81 MAPT (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL29664507 0.81 KDM4E (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL23641430 0.81 MAPT (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL1253268 0.81 MAPT (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL3749378 0.81 MAPT (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL3747011 0.81 KDM4E (0.48) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL28168712 0.81 KDM4E (0.44) KDM4EMAPTMEN1KMT2APOLB

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
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed