SCHEMBL6777563

SCHEMBL6777563

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3cccc4ccccc34)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPY5R Q15761 6/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
HTR7 P34969 7/20 0.46
HTR6 P50406 3/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
TLR7 Q9NYK1 1/20 0.39
CCR1 P32246 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
SCHEMBL6773910 0.88 QPCT (0.52) KDM4EALDH1A1HTR7HTR6HTR2A
SCHEMBL6783971 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HTR7HTR1ATLR7
SCHEMBL6774053 0.82 HDAC1 (0.41) KDM4EALDH1A1HTR7HTR1ATLR7
SCHEMBL14516489 0.82 HTR7 (0.47) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL6779152 0.82 TLR7 (0.40) KDM4EALDH1A1HTR2ATLR7
SCHEMBL6779812 0.81 SCN1A (0.48) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL6780196 0.81 TLR7 (0.37) ALDH1A1HTR2ATLR7
SCHEMBL6779513 0.81 ALDH1A1 (0.38) ALDH1A1HTR1ATLR7
SCHEMBL6778222 0.81 ALDH1A1 (0.40) ALDH1A1HTR7HTR6DRD2HTR2A
SCHEMBL6779047 0.80 CYP2C9 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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