SCHEMBL529873

SCHEMBL529873

Cc1ccc(N(c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12505329 0.83 MAPT (0.44) LMNASMN1; SMN2NPSR1ALDH1A1L3MBTL1
SCHEMBL23047551 0.74 POLB (0.45) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13569454 0.72 POLB (0.40) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL528260 0.72 ALDH1A1 (0.39) LMNASMN1; SMN2NPSR1CA1CA2
SCHEMBL529539 0.70 MAPT (0.44) LMNASMN1; SMN2NPSR1ALDH1A1L3MBTL1
SCHEMBL21101926 0.69 LMNA (0.42) LMNASMN1; SMN2NPSR1ALDH1A1L3MBTL1
SCHEMBL14225033 0.69 POLB (0.38) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17539850 0.69 POLB (0.38) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL531355 0.68 POLB (0.45) POLBSMN1; SMN2ALDH1A1L3MBTL1RXRA
SCHEMBL1254154 0.67 RXRA (0.47) POLBCA12CA1CA2CA7

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed