SCHEMBL6779047

SCHEMBL6779047

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3cccs3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
NPY5R Q15761 1/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6783971 0.84 ALDH1A1 (0.44) TSHRALDH1A1HTR7MAPK1MEN1
SCHEMBL727205 0.82 HTR2A (0.40) CYP2C9CYP2C19CYP2D6TP53TSHR
SCHEMBL6780196 0.82 TLR7 (0.37) ALDH1A1HTR2AMEN1KMT2APOLB
SCHEMBL6779513 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APKM
SCHEMBL6774053 0.81 HDAC1 (0.41) TP53TSHRALDH1A1HTR7HTT
SCHEMBL6780266 0.81 CYP2C9 (0.44) CYP2C9CYP2C19CYP2D6TP53TSHR
SCHEMBL6779152 0.81 TLR7 (0.40) ALDH1A1HTR2AMEN1KMT2APOLB
SCHEMBL6781246 0.80 HTR7 (0.39) ALDH1A1NPY5RHTR2AHTR7HTR6
SCHEMBL6777563 0.80 SCN1A (0.49) CYP2C9CYP2C19ALDH1A1NPY5RDRD2
SCHEMBL6773910 0.80 QPCT (0.52) TSHRALDH1A1HTR2AHTR7HTR6

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