SCHEMBL1160901

SCHEMBL1160901

CS(=O)(=O)NC12CC3[CH]C(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
EPHX2 P34913 6/20 0.32
SCN9A Q15858 2/20 0.32
EPHX1 P07099 2/20 0.31
ADRB3 P13945 1/20 0.31
GFER P55789 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL17226609 0.84 GRIN2D (0.48) LMNAALDH1A1CA12CA2CA7
SCHEMBL26027255 0.80 LMNA (0.36) LMNAALDH1A1CA12CA2CA7
SCHEMBL1406851 0.73 LMNA (0.36) LMNAALDH1A1CA12CA2CA7
SCHEMBL28614932 0.73 EPHX2 (0.54) LMNAALDH1A1CA12CA2CA7
SCHEMBL1160739 0.73 LMNA (0.36) LMNAALDH1A1CA12CA2CA7
SCHEMBL13195555 0.73 LMNA (0.36) LMNAALDH1A1CA12CA2CA7
SCHEMBL1161114 0.71 ALDH1A1 (0.43) ALDH1A1CA2EPHX2SCN9AKMT2A
SCHEMBL1222916 0.71 HSD11B1 (0.34)
SCHEMBL1032460 0.70 EPHX1 (0.51) EPHX2EPHX1MEN1KMT2A
SCHEMBL13126731 0.70 LMNA (0.34) LMNAALDH1A1CA12CA2CA7

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
EP-2459548-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
WO-2011012800-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-03 WO disclosed