SCHEMBL24522384

SCHEMBL24522384

COC(=O)c1ccc2c(c1)OCC(c1ccc(C(F)(F)F)cc1)NC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NOTUM Q6P988 1/20 0.37
HDAC11 Q96DB2 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL29558535 1.00 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL17976536 1.00 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL17971692 0.88 HTR7 (0.39) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL29558147 0.88 HTR7 (0.39) KDM4EALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL29616809 0.87 HTR7 (0.39) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL17971681 0.87 GFER (0.43) KDM4EALDH1A1MAPK1TDP1MEN1
SCHEMBL17957470 0.87 RARA (0.42) ALDH1A1MAPK1HDAC3HDAC2HDAC8
SCHEMBL17957468 0.87 RARA (0.42) ALDH1A1MAPK1HDAC3HDAC2HDAC8
SCHEMBL17971686 0.86 KDM4E (0.38) KDM4EALDH1A1POLBGAAMEN1
Hydrochloric Acid SCHEMBL29616828 0.86 GFER (0.43) KDM4EALDH1A1MAPK1TDP1MEN1

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-4015514-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0]HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, Inc. (US) 2022-06-22 EP disclosed