SCHEMBL528378

SCHEMBL528378

CCc1ccc(C(=O)Nc2ccc(C(O)C(CCn3nnc4ccccc4c3=O)C(=O)N3C(=O)SC[C@@H]3Cc3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL528115 0.85 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1L3MBTL1HDAC1
SCHEMBL528451 0.85 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1L3MBTL1HDAC1
SCHEMBL528312 0.84 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528313 0.84 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL531077 0.84 GPR139 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL531078 0.84 GPR139 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL528905 0.82 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL528906 0.82 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL528033 0.81 MMP2 (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL528034 0.81 MMP2 (0.44) KMT2AMEN1ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP disclosed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed