SCHEMBL6777208

SCHEMBL6777208

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
HTR2A P28223 6/20 0.41
HTR7 P34969 6/20 0.41
HTR6 P50406 6/20 0.41
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
NPY5R Q15761 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6779745 0.90 ALDH1A1 (0.51) HTR2AHTR7ALDH1A1PKML3MBTL1
SCHEMBL6781246 0.89 HTR7 (0.39) HTR2AHTR7HTR6CCR1ALDH1A1
SCHEMBL6779513 0.87 ALDH1A1 (0.38) ALDH1A1PKML3MBTL1
SCHEMBL6783971 0.86 ALDH1A1 (0.44) HTR7ALDH1A1PKMMAPK1SMN1; SMN2
SCHEMBL6774053 0.84 HDAC1 (0.41) HTR7ALDH1A1PKMMMP1MMP2
SCHEMBL6773439 0.83 TRPV1 (0.44)
SCHEMBL6777386 0.82 CCR1 (0.41) DRD2HTR2AHTR7HTR6CCR1
SCHEMBL6778222 0.81 ALDH1A1 (0.40) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL6287653 0.81 F2 (0.39) ALDH1A1NPY5R
SCHEMBL6287659 0.81 F2 (0.39) ALDH1A1NPY5R

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
CN-100372846-C Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-03-05 CN claimed
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed