SCHEMBL4781376

SCHEMBL4781376

O=C(O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ERAP1 Q9NZ08 2/20 0.58
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
DNMT1 P26358 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NAMPT P43490 1/20 0.53
ACLY P53396 1/20 0.51
KDM1A O60341 1/20 0.51

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
SCHEMBL30262500 0.90 ERAP1 (0.70) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4781525 0.80 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL30262514 0.79 ERAP1 (0.69) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL5111331 0.78 LMNA (0.62) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4782068 0.78 ALDH1A1 (0.83) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3822813 0.74 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL20357282 0.73 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL30262537 0.73 ERAP1 (0.83) ALDH1A1LMNASMN1; SMN2ERAP1MCOLN3
SCHEMBL23119482 0.73 LMNA (0.72) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL30262529 0.73 ERAP1 (1.00) ALDH1A1LMNASMN1; SMN2MAPTKDM4E

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