SCHEMBL4775751

SCHEMBL4775751

O=S(=O)(Nc1cc2c(cc1-c1ncno1)OCO2)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.44
GLO1 Q04760 1/20 0.43
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
PGR P06401 4/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACLY P53396 1/20 0.40
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
CCR4 P51679 1/20 0.39
FBP1 P09467 1/20 0.39
HPGD P15428 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4781224 0.86 GFER (0.43) GLO1CYP2C9CYP2C19HPGDMAPT
SCHEMBL4780514 0.85 GLO1 (0.41) GLO1PGRCYP2C9CYP2C19FBP1
SCHEMBL3089179 0.84 SLC40A1 (0.46) SLC40A1EDNRBEDNRAPGRACLY
SCHEMBL4777634 0.83 SLC40A1 (0.47) SLC40A1GLO1EDNRBEDNRAPGR
SCHEMBL4842459 0.81 ALDH1A1 (0.47) SLC40A1EDNRBEDNRAPGRKDM1A
SCHEMBL3095682 0.78 PIK3C2B (0.36) PGRKDM1AMAOAACLYHPGD
SCHEMBL8662810 0.76 HPGD (0.51) PGRKDM1AMAOAACLYHPGD
SCHEMBL4840971 0.71 ALDH1A1 (0.47) SLC40A1GLO1EDNRBEDNRACYP2C9
SCHEMBL8658312 0.71 HPGD (0.53) CYP2C9CYP2C19HPGDMAPT
SCHEMBL8660153 0.71 HPGD (0.53) SLC40A1ACLYHPGDMAPT

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