SCHEMBL27488247

SCHEMBL27488247

O=c1c(CCC2CCCCC2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 7/20 0.36
TP53 P04637 5/20 0.36
LMNA P02545 3/20 0.36
BRS3 P32247 1/20 0.35
SRC P12931 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL27487891 0.91 RAB9A (0.40) RAB9ANPC1ATMKMT2APKM
SCHEMBL8519579 0.85 PTGS2 (0.46) RAB9ANPC1ATMKMT2APKM
SCHEMBL27489266 0.84 RAB9A (0.44) RAB9ANPC1ATMKMT2APKM
SCHEMBL4183881 0.84 PTGS2 (0.47) RAB9ANPC1ATMKMT2APKM
SCHEMBL27522824 0.83 RAB9A (0.42) RAB9ANPC1ATMKMT2APKM
SCHEMBL27471996 0.82 RAB9A (0.42) RAB9ANPC1ATMKMT2APKM
SCHEMBL27549348 0.82 RAB9A (0.42) RAB9ANPC1ATMKMT2APKM
SCHEMBL27486810 0.81 RAB9A (0.42) RAB9ANPC1ATMKMT2APKM
SCHEMBL27488954 0.81 NPBWR1 (0.40) RAB9ANPC1ATMKMT2APKM
SCHEMBL27486812 0.80 RAB9A (0.49) RAB9ANPC1ATMKMT2APKM

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
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed