SCHEMBL7981738

SCHEMBL7981738

CC(C)(C)OC(=O)N1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
NAMPT P43490 2/20 0.44
TP53 P04637 7/20 0.42
ACKR3 P25106 1/20 0.42
LMNA P02545 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 3/20 0.41
RORC P51449 1/20 0.41
GNRHR P30968 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7987167 0.92 KDM4E (0.45) KDM4EPKMNAMPTTP53LMNA
SCHEMBL7981945 0.91 KDM4E (0.44) KDM4EPKMNAMPTTP53LMNA
SCHEMBL7989477 0.86 KDM4E (0.47) KDM4EPKMNAMPTTP53TGFBR1
SCHEMBL7989480 0.86 KDM4E (0.47) KDM4EPKMNAMPTTP53TGFBR1
SCHEMBL7983268 0.84 LIMK2 (0.47) KDM4EPKM
SCHEMBL7989610 0.84 ACKR3 (0.50) TP53ACKR3LMNATGFBR1MAPT
SCHEMBL7972106 0.84 METTL3 (0.42) KDM4EPKMNAMPTACKR3
SCHEMBL7983299 0.83 NAMPT (0.39) KDM4EPKMNAMPTTP53ACKR3
SCHEMBL7985797 0.83 ACKR3 (0.51) TP53ACKR3LMNAMAPT
SCHEMBL7987858 0.81 TGFBR1 (0.44) KDM4EPKMTGFBR1MAPT

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed