SCHEMBL27488954

SCHEMBL27488954

O=c1c(OC2CCCCC2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.40
MCHR1 Q99705 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ATM Q13315 1/20 0.40
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 5/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
SRC P12931 1/20 0.35
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL27522824 0.84 RAB9A (0.42) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL4193605 0.83 PTGS2 (0.48) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27549348 0.83 RAB9A (0.42) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27487891 0.82 RAB9A (0.40) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27555439 0.81 NPBWR1 (0.45) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27488247 0.81 RAB9A (0.39) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27522818 0.80 NPC1 (0.47) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27488246 0.80 NPBWR1 (0.44) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27471548 0.80 SMN1; SMN2 (0.52) NPBWR1MCHR1RAB9ANPC1ATM
SCHEMBL27470574 0.78 KMT2A (0.47) NPBWR1MCHR1RAB9ANPC1ATM

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