SCHEMBL4330052

SCHEMBL4330052

CC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.78
NPC1 O15118 7/20 0.78
KMT2A Q03164 7/20 0.78
MEN1 O00255 5/20 0.78
DEGS1 O15121 1/20 0.74
CASP3 P42574 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
KDM4E B2RXH2 1/20 0.68
POLB P06746 2/20 0.66
NR1H4 Q96RI1 1/20 0.65
MAPT P10636 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MCL1 Q07820 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PLAU P00749 3/20 0.61
GPR27 Q9NS67 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL26885264 0.95 RAB9A (0.72) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL2230642 0.90 NPC1 (0.77) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL12447826 0.87 NPC1 (0.82) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL26885220 0.87 DEGS1 (0.79) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL2467402 0.86 PLAU (0.78) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL15711275 0.86 NPC1 (0.70) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL3656661 0.85 DEGS1 (0.77) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL7890716 0.85 DEGS1 (1.00) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL29518660 0.85 DEGS1 (1.00) RAB9ANPC1KMT2AMEN1DEGS1
SCHEMBL3788361 0.84 NPC1 (1.00) RAB9ANPC1KMT2AMEN1DEGS1

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
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed