SCHEMBL4777634

SCHEMBL4777634

O=S(=O)(Nc1cc2c(cc1-c1ncco1)OCO2)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.47
GLO1 Q04760 1/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
CCR4 P51679 1/20 0.41
PGR P06401 4/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
ACLY P53396 1/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
FBP1 P09467 1/20 0.39
SCN9A Q15858 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4840971 0.88 ALDH1A1 (0.47) SLC40A1GLO1CYP2C9CYP2C19EDNRB
SCHEMBL4727568 0.86 GFER (0.43) GLO1CYP2C9CYP2C19SCN9AHPGD
SCHEMBL4781821 0.85 SLC40A1 (0.49) SLC40A1GLO1CCR1CCR2CCR4
SCHEMBL4777374 0.85 GLO1 (0.43) GLO1CYP2C9CYP2C19PGRFBP1
SCHEMBL4775751 0.83 SLC40A1 (0.44) SLC40A1GLO1CYP2C9CYP2C19CCR1
SCHEMBL3098833 0.82 SLC40A1 (0.55) SLC40A1CCR2PGRKDM1AACLY
SCHEMBL4781817 0.81 SLC40A1 (0.48) SLC40A1CCR1CCR2CCR4PGR
SCHEMBL4782048 0.80 PGR (0.54) SLC40A1GLO1CCR4PGRKDM1A
SCHEMBL3095682 0.78 PIK3C2B (0.36) PGRKDM1AMAOAACLYSCN9A
SCHEMBL8662810 0.76 HPGD (0.51) PGRKDM1AMAOAACLYHPGD

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed