SCHEMBL17296358

SCHEMBL17296358

CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2cccc(C#N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
CCR3 P51677 10/20 0.52
TGFBR1 P36897 3/20 0.51
HTR2A P28223 2/20 0.50
USP30 Q70CQ3 1/20 0.48
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CETP P11597 2/20 0.47

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
SCHEMBL27614055 0.88 TGFBR1 (0.54) KDM4EPKMTGFBR1CETP
SCHEMBL6582812 0.85 CA12 (0.56) USP30CYP2D6HSD17B10
SCHEMBL377671 0.81 ALDH1A1 (0.58) KDM4ECYP2D6HSD17B10
SCHEMBL18987045 0.80 USP30 (0.62) BRD4KDM4EPKMTGFBR1USP30
SCHEMBL6583644 0.79 CYP2D6 (0.48) USP30CYP2D6HSD17B10
SCHEMBL27614053 0.79 KDM4E (0.50) KDM4EPKMTGFBR1CETP
SCHEMBL6397967 0.79 MGLL (0.64) KDM4EPKMCCR3CETP
SCHEMBL3249543 0.78 MGLL (0.57)
SCHEMBL14255786 0.77 GPR119 (0.57) KDM4EPKMTGFBR1CETP
SCHEMBL331605 0.77 ALDH1A1 (0.51) USP30CYP2D6HSD17B10

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-2015184222-A1 INHIBITORS OF HEPATOCYTE GROWTH FACTOR [HGF] AND MACROPHAGE STIMULATING PROTEIN [MSP] MATURATION SOUTHERN RESEARCH INSTITUTE (US) 2015-12-03 WO disclosed
WO-2015184222-A1 INHIBITORS OF HEPATOCYTE GROWTH FACTOR [HGF] AND MACROPHAGE STIMULATING PROTEIN [MSP] MATURATION SOUTHERN RESEARCH INSTITUTE (US) 2015-12-03 WO disclosed