SCHEMBL528361

SCHEMBL528361

COc1ccc(C)cc1NC(=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.66
KCNMA1 Q12791 1/20 0.66
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
MAPK1 P28482 1/20 0.62
AHR P35869 1/20 0.62
HPGD P15428 2/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL16071443 0.88 EPHX1 (0.76) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14363235 0.87 TP53 (0.81) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL16119683 0.86 EPHX1 (0.81) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL21771978 0.85 KMT2A (0.67) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL29826604 0.85 TP53 (0.83) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL13561126 0.85 HDAC1 (0.79) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL12368198 0.85 KCNMA1 (0.79) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14363233 0.85 TP53 (0.68) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL8358105 0.85 TP53 (0.83) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL7828780 0.84 KMT2A (0.72) MEN1KMT2AMAPTALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed