SCHEMBL8043288

SCHEMBL8043288

CCC/C(=N/CC)c1nc(N(CCN2CCOCC2)CC2CC2)[nH]c(=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.31
USP2 O75604 1/20 0.31
PDE9A O76083 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL8034133 0.69 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8053716 0.68 EED (0.32)
SCHEMBL8031553 0.62 KDM4E (0.34) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4125201 0.61 PDE5A (0.36) KDM4EALDH1A1KMT2AMAPTCTDSP1
SCHEMBL4123024 0.60 ALDH1A1 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL8043292 0.58 PDE5A (0.45) ALDH1A1MEN1KMT2APDE9A
SCHEMBL24784205 0.55 KMT2A (0.49) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL8190981 0.54 KMT2A (0.46) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL23747134 0.52 GLA (0.58) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL18772826 0.52 LMNA (0.34) KDM4EALDH1A1SMN1; 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-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed