SCHEMBL528568

SCHEMBL528568

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)S(=O)(=O)C(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
P2RY2 P41231 1/20 0.47
GPR17 Q13304 1/20 0.47
SIRT2 Q8IXJ6 7/20 0.46
CNR1 P21554 1/20 0.46
ROCK2 O75116 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRAF P15056 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRM5 P41594 1/20 0.42

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 0.90 MAPT (0.54) CCR2P2RY2GPR17SIRT2CNR1
SCHEMBL528374 0.90 SMN1; SMN2 (0.45) SIRT2ROCK2MAPTLMNAPOLB
SCHEMBL528642 0.89 LMNA (0.48) CCR2P2RY2GPR17SIRT2CNR1
SCHEMBL529437 0.88 MAPT (0.58) CCR2GPR17MAPTLMNASMN1; SMN2
SCHEMBL528124 0.87 KMT2A (0.53) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL527969 0.87 MAPT (0.60) P2RY2GPR17SIRT2MAPTLMNA
SCHEMBL528238 0.86 MAPT (0.59) CCR2SIRT2MAPTLMNAPOLB
SCHEMBL528931 0.86 MAPT (0.47) CCR2GPR17CNR1MAPTLMNA
SCHEMBL529226 0.86 SMN1; SMN2 (0.48) MAPTLMNAPOLBSMN1; SMN2BRAF
SCHEMBL528329 0.83 MAPT (0.47) ROCK2MAPTLMNASMN1; SMN2BRAF

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