SCHEMBL3724975

SCHEMBL3724975

COC(=O)c1cc(-c2cn(Cc3ccccc3)nc2C)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SCD O00767 1/20 0.44
RAF1 P04049 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KLKB1 P03952 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL13260110 0.89 KDM4E (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL3725282 0.86 KMT2A (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL3724448 0.86 POLQ (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL3722206 0.83 POLQ (0.52) KDM4EKMT2ASMN1; SMN2
SCHEMBL3725838 0.80 KDM4E (0.45) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL3725819 0.80 HDAC1 (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL14343247 0.78 KDM4E (0.46) KDM4EKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3721607 0.78 KDM4E (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL720425 0.76 KLKB1 (0.53) KMT2ASMN1; SMN2ALDH1A1POLBFFAR4
SCHEMBL3724299 0.75 POLQ (0.50) KDM4EKMT2ASMN1; SMN2POLBTDP1

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