SCHEMBL4779073

SCHEMBL4779073

Cn1nc(-c2ccc(C(=O)NNC3CCOCC3)cc2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA5 P31644 9/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
CYP11B2 P19099 1/20 0.35
ITGA5 P08648 1/20 0.35
GABRA1 P14867 3/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4580699 0.74 HSP90AA1 (0.40) HSP90AA1HSP90AB1CYP11B2
SCHEMBL8553015 0.66 SMN1; SMN2 (0.47) TSHRHSD17B10HDAC6HPGDSMN1; SMN2
SCHEMBL4581914 0.62 CYP11B2 (0.42) CYP11B2HPGD
SCHEMBL15088518 0.59 NAMPT (0.54) HDAC4HDAC6HPGDSMN1; SMN2
SCHEMBL14222294 0.58 IDO1 (0.38) GABRA5HSD17B10CYP11B2GABRA1HPGD
SCHEMBL31375578 0.58 ALDH1A1 (0.64) HDAC6LMNAHPGDSMN1; SMN2
SCHEMBL8387722 0.57 DEGS1 (0.53) L3MBTL1HPGDSMN1; SMN2
SCHEMBL10557090 0.57 CARM1 (0.52) HDAC4HDAC6
SCHEMBL5497348 0.56 RAB9A (0.56) HDAC4HDAC6HPGDSMN1; SMN2
SCHEMBL29268969 0.56 NPC1 (0.55) HSD17B10HDAC6HPGDSMN1; SMN2

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
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed