SCHEMBL3724448

SCHEMBL3724448

C=CCc1nn(Cc2ccccc2)cc1-c1cc(C(=O)OC)sc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAF1 P04049 1/20 0.41
SCD O00767 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CREBBP Q92793 1/20 0.37
SCD5 Q86SK9 4/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 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
SCHEMBL3724391 0.87 HDAC1 (0.42) POLQKDM4EHDAC1HDAC7KMT2A
SCHEMBL3725282 0.87 KMT2A (0.41) POLQKDM4EHDAC1HDAC7KMT2A
SCHEMBL3724975 0.86 KDM4E (0.45) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL13260110 0.84 KDM4E (0.43) POLQKDM4EHDAC1HDAC7KMT2A
SCHEMBL3722206 0.83 POLQ (0.52) POLQKDM4EKMT2ASMN1; SMN2CREBBP
SCHEMBL3725838 0.75 KDM4E (0.45) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3725819 0.75 HDAC1 (0.42) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL3724299 0.74 POLQ (0.50) POLQKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL3721607 0.73 KDM4E (0.43) KDM4EHDAC1HDAC7KMT2ASMN1; SMN2
SCHEMBL13260951 0.71 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1POLB

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