SCHEMBL528642

SCHEMBL528642

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RY2 P41231 1/20 0.48
GPR17 Q13304 1/20 0.48
CNR1 P21554 1/20 0.47
SIRT2 Q8IXJ6 7/20 0.47
ROCK2 O75116 1/20 0.47
MAPT P10636 4/20 0.46
CCR2 P41597 1/20 0.46
BRAF P15056 1/20 0.46
GRM5 P41594 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL528757 0.92 MAPT (0.54) LMNAPOLBSMN1; SMN2P2RY2GPR17
SCHEMBL529561 0.90 SMN1; SMN2 (0.48) LMNAPOLBSMN1; SMN2SIRT2ROCK2
SCHEMBL528568 0.89 CCR2 (0.47) LMNAPOLBSMN1; SMN2P2RY2GPR17
SCHEMBL527969 0.88 MAPT (0.60) LMNAPOLBSMN1; SMN2P2RY2GPR17
SCHEMBL527900 0.88 MAPT (0.60) LMNAPOLBSMN1; SMN2GPR17MAPT
SCHEMBL528087 0.86 KMT2A (0.55) LMNASMN1; SMN2MAPTNPSR1
SCHEMBL529579 0.86 MAPT (0.61) LMNASMN1; SMN2SIRT2MAPTL3MBTL1
SCHEMBL528010 0.86 SMN1; SMN2 (0.52) LMNAPOLBSMN1; SMN2SIRT2MAPT
SCHEMBL528111 0.86 MAPT (0.48) LMNASMN1; SMN2GPR17CNR1SIRT2
SCHEMBL528856 0.83 MAPT (0.49) LMNASMN1; SMN2ROCK2MAPTBRAF

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 disclosed