SCHEMBL3721607

SCHEMBL3721607

COC(=O)c1cc(C)c(-c2cn(Cc3ccccc3)nc2Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
SCD O00767 1/20 0.40
RAF1 P04049 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13260110 0.86 KDM4E (0.43) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3724391 0.84 HDAC1 (0.42) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3725006 0.79 KDM4E (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13260970 0.79 POLQ (0.48) KDM4EKMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL3724975 0.78 KDM4E (0.45) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3725819 0.77 HDAC1 (0.42) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3725838 0.75 KDM4E (0.45) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3725282 0.73 KMT2A (0.41) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3724448 0.73 POLQ (0.41) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL13260951 0.71 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD

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-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed