SCHEMBL4819112

SCHEMBL4819112

COCn1c(C2CCCCC2)nc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MDM2 Q00987 1/20 0.42
CNR2 P34972 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 2/20 0.38
ATM Q13315 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4819129 0.72 OGFRL1 (0.43) MEN1KMT2ACNR1
SCHEMBL2992060 0.70 FABP4 (0.34) POLBUSP2KDM4EHSD17B10CNR2
SCHEMBL4291351 0.68 OGFRL1 (0.44) CNR1
SCHEMBL13211567 0.68 GPR35 (0.32) TP53MAPTALDH1A1LMNARAB9A
SCHEMBL2990743 0.67 SLC6A9 (0.33) ALDH1A1LMNARAB9A
SCHEMBL8823172 0.67 KDM4E (0.50) KDM4EHSD17B10MDM2KMT2ATP53
SCHEMBL2998826 0.66 KDM4E (0.36) POLBKDM4EMEN1KMT2ATP53
SCHEMBL4294427 0.65 OGFRL1 (0.48) MDM2MEN1KMT2ACNR1ALDH1A1
SCHEMBL4500497 0.64 CNR2 (0.58) POLBUSP2CNR2CNR1
SCHEMBL10017800 0.64 EPHX1 (0.42) POLBUSP2CNR2CNR1RAB9A

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed