SCHEMBL4734073

SCHEMBL4734073

CCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.33
HCN1 O60741 5/20 0.32
HCN4 Q9Y3Q4 3/20 0.32
NR3C1 P04150 1/20 0.32
BRD4 O60885 1/20 0.32
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4739132 0.90 KDM4E (0.40) RAB9AKDM4EP2RX7NPC1
SCHEMBL4739802 0.90 NPC1 (0.32) RAB9ASMN1; SMN2CCNA2CDK2NPC1
SCHEMBL4737853 0.89 PTGES (0.38) HCN1HCN4NR3C1P2RX7
SCHEMBL4737025 0.89 HPGD (0.40) HCN1HCN4HSD17B10KDM4ELMNA
SCHEMBL4739290 0.89 PDE10A (0.33) HCN1HCN4RAB9ANPC1
SCHEMBL4738609 0.86 DHODH (0.36) RAB9ASMN1; SMN2KDM4ELMNAHPGD
SCHEMBL4737882 0.86 RAB9A (0.35) RAB9AHSD17B10KDM4ECCNA2CDK2
SCHEMBL4737070 0.86 ALDH1A1 (0.36) RAB9ASMN1; SMN2HSD17B10KDM4ELMNA
SCHEMBL4782354 0.84 KDM4E (0.32) KDM4E
SCHEMBL4734384 0.82 KMT2A (0.36) SMN1; SMN2NPSR1LMNA

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed