SCHEMBL4333577

SCHEMBL4333577

CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3csc(N)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
THRB P10828 1/20 0.47
LTA4H P09960 5/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SREBF2 Q12772 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4330723 0.84 PRSS1 (0.61) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL4326106 0.84 NPC1 (0.63) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4330728 0.82 ADORA3 (0.48) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL474535 0.81 ALDH1A1 (0.59) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL14062417 0.80 MAPT (0.75) MAPTALDH1A1TDP1L3MBTL1PRSS1
SCHEMBL14062466 0.80 MAPT (0.75) MAPTALDH1A1TDP1L3MBTL1PRSS1
SCHEMBL4322692 0.80 ALDH1A1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4330172 0.79 MAPT (0.55) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4328007 0.79 ALDH1A1 (0.59) MAPTALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL14062435 0.78 MAPT (0.83) MAPTALDH1A1TDP1L3MBTL1PRSS1

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