SCHEMBL4554192

SCHEMBL4554192

Cn1ncc(/C=C/C(=O)Nc2ccc(CO[PH](=O)OCc3ccc(NC(=O)/C=C/c4cnn(C)c4-c4cccs4)cc3)cc2)c1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
HCRTR1 O43613 1/20 0.39
CCNC P24863 7/20 0.37
CDK8 P49336 7/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK19 Q9BWU1 1/20 0.37

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
SCHEMBL4554193 0.94 MAPT (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4554191 0.94 MAPT (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3486750 0.86 MAPT (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3486759 0.86 MAPT (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6429437 0.85 CCNC (0.46) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4829121 0.83 KDM4E (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4829105 0.83 KDM4E (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6430138 0.83 RAB9A (0.44) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6437872 0.82 CCNC (0.41) SMN1; SMN2CCNCCDK8CDK19NAMPT
SCHEMBL29208304 0.81 CCNC (0.43) RAB9ASMN1; SMN2NPC1CCNCCDK8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed