SCHEMBL28831745

SCHEMBL28831745

CS(=O)(=O)NC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
EPHX2 P34913 1/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CHKA P35790 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL31017480 0.81 POLB (0.41) POLBKMT2AHSD11B1LMNA
SCHEMBL16791886 0.79 HTT (0.44) POLBKMT2AHSD11B1LMNA
SCHEMBL28059194 0.78 ALDH1A1 (0.47) KMT2ACYP1A2LMNATDP1
SCHEMBL31017504 0.78 TDP1 (0.46) POLBEPHX2KMT2ACYP1A2LMNA
SCHEMBL15931753 0.76 HTT (0.53) CA12CA1CA9KMT2ALMNA
SCHEMBL3223897 0.76 POLB (0.37) POLBKMT2ALMNATDP1
SCHEMBL5257 0.74 POLB (0.68) POLBEPHX2CA2CA12CA1
SCHEMBL30843794 0.73 CA2 (0.43) POLBEPHX2CA2CA12CA1
SCHEMBL3704606 0.72 CA2 (0.46) POLBEPHX2CA2CA12CA1
Hydrochloric Acid SCHEMBL659692 0.72 POLB (0.65) POLBEPHX2CA2CA12CA1

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-105814045-B Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2017-08-25 CN disclosed
CN-105814045-A Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed