SCHEMBL7947558

SCHEMBL7947558

COc1cccc(NC(=O)Nc2cc(-c3ccccc3)ccc2O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.56
KDM4E B2RXH2 1/20 0.56
APOBEC3A P31941 1/20 0.56
GFER P55789 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC2 Q92769 1/20 0.51
KMT2A Q03164 1/20 0.50
ABCB1 P08183 3/20 0.48
BRD4 O60885 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
WDR5 P61964 1/20 0.47
ABCC1 P33527 1/20 0.47
ACLY P53396 1/20 0.47
KCNMA1 Q12791 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
SCHEMBL5664848 0.90 CA12 (0.65) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL5605083 0.81 MEN1 (0.59) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL5595153 0.78 RAB9A (0.58) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL7551297 0.76 HDAC1 (0.63) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL5594888 0.76 HDAC1 (0.67) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL5595100 0.74 MEN1 (0.61) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL3225418 0.74 BRD4 (0.55) KDM4ECA12CA1CA2CA9
SCHEMBL5705906 0.72 HDAC1 (0.58) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL28804385 0.72 HDAC1 (0.62) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL8493065 0.72 ALDH1A1 (0.59) KDM4EKMT2ABRD4NPC1RAB9A

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-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed