SCHEMBL28028696

SCHEMBL28028696

CCCCc1c(C)cccc1C.O=S(=O)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CA2 P00918 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CXCR5 P32302 1/20 0.35
SKP2 Q13309 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
KCNH2 Q12809 3/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TYMP P19971 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL9240455 0.87 SKP2 (0.42) TSHRCA2KDM4ECXCR5SKP2
SCHEMBL27940588 0.81 TAAR1 (0.47) CA2SMN1; SMN2
SCHEMBL11852687 0.81 KCNH2 (0.50) TSHRKDM4ECXCR5ALDH1A1HSD17B10
SCHEMBL28296316 0.79 KCNH2 (0.54) KDM4ECXCR5ALDH1A1HSD17B10KCNH2
SCHEMBL27563780 0.79 KCNH2 (0.54) KDM4ECXCR5ALDH1A1HSD17B10KCNH2
SCHEMBL9695394 0.79 KCNH2 (0.54) KDM4ECXCR5ALDH1A1HSD17B10KCNH2
SCHEMBL6737495 0.78 MYC (0.38) TSHRCA2SMN1; SMN2KDM4ECXCR5
M-Xylene SCHEMBL29177628 0.78 ACHE (0.50) TSHRSKP2HPGDALDH1A1NPC1
SCHEMBL2697159 0.78 TSHR (0.40) TSHRKDM4ECXCR5SKP2HPGD
SCHEMBL20749239 0.78 CFTR (0.44) TSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104955801-A Substituted diaryl sulfonamides and uses thereof NOVOMEDIX LLC 2015-09-30 CN disclosed