SCHEMBL528511

SCHEMBL528511

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 4/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 3/20 0.48
GALR3 O60755 1/20 0.48
MAPT P10636 7/20 0.47
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KCNH2 Q12809 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL529259 0.92 MAPT (0.55) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528307 0.91 KMT2A (0.63) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528823 0.90 MAPT (0.53) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528087 0.89 KMT2A (0.55) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528111 0.89 MAPT (0.48) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528626 0.89 ALDH1A1 (0.46) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL528797 0.89 MAPT (0.51) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL529002 0.88 LMNA (0.50) KMT2ALMNAMEN1CA12CA1
SCHEMBL528399 0.88 MAPT (0.56) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL529561 0.87 SMN1; SMN2 (0.48) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1

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