SCHEMBL1017419

SCHEMBL1017419

COc1ccc(S(C)(=O)=O)cc1CNC(=O)c1cc(Cl)c[nH]c1=N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
STAT6 P42226 1/20 0.44
KCNH2 Q12809 1/20 0.44
BLM P54132 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NLRP3 Q96P20 3/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL1019865 0.82 CA1 (0.50) CYP2C9ALDH1A1GAANPSR1
SCHEMBL1019879 0.79 CCR1 (0.54) LMNAHPGDALDH1A1GAA
Hydrochloric Acid SCHEMBL1020450 0.79 DDR1 (0.43) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL15703882 0.78 EPHX2 (0.46) LMNAKDM4EALDH1A1
SCHEMBL1018589 0.78 DDR1 (0.48)
SCHEMBL1016771 0.78 DDR1 (0.50) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1018237 0.77 ALDH1A1 (0.45) LMNACYP2D6KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL1018259 0.77 DDR1 (0.47)
SCHEMBL1017517 0.76 DDR1 (0.39) LMNATSHRKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL1020060 0.76 DDR1 (0.39) LMNATSHRKDM4EHPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP claimed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO claimed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO disclosed