SCHEMBL527969

SCHEMBL527969

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
LMNA P02545 4/20 0.60
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIRT2 Q8IXJ6 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
P2RY2 P41231 1/20 0.48
GPR17 Q13304 1/20 0.48

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
SCHEMBL528969 0.91 MAPT (0.60) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL528757 0.89 MAPT (0.54) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL529003 0.89 MAPT (0.66) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL528642 0.88 LMNA (0.48) MAPTLMNAPOLBSMN1; SMN2SIRT2
SCHEMBL528683 0.88 MAPT (0.77) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL529032 0.87 MAPT (0.77) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL528568 0.87 CCR2 (0.47) MAPTLMNAPOLBSMN1; SMN2SIRT2
SCHEMBL528590 0.86 MAPT (0.63) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL528499 0.86 MAPT (0.63) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL527884 0.84 MAPT (0.74) MAPTLMNAKDM4EALDH1A1SMN1; SMN2

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