SCHEMBL12433192

SCHEMBL12433192

CC(=O)NC(C)C(=O)Nc1ccc(C)cc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
CXCR2 P25025 1/20 0.52
GAA P10253 8/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL12432821 0.88 GAA (0.56) KMT2AMEN1GAANPC1RAB9A
SCHEMBL12432308 0.84 GAA (0.46) KMT2AMEN1GAANPC1RAB9A
SCHEMBL1390968 0.81 MEN1 (0.47) KMT2AMEN1GAANPC1RAB9A
SCHEMBL6836298 0.81 KMT2A (0.63) KMT2AMEN1CXCR2GAANPC1
SCHEMBL1390513 0.80 KDM4E (0.50) KMT2AMEN1GAANPC1RAB9A
SCHEMBL1390514 0.80 KDM4E (0.50) KMT2AMEN1GAANPC1RAB9A
SCHEMBL4520067 0.80 NPC1 (0.69) KMT2AMEN1CXCR2GAANPC1
SCHEMBL4972469 0.77 KMT2A (0.58) KMT2AMEN1CXCR2GAANPC1
SCHEMBL12125127 0.77 KMT2A (0.58) KMT2AMEN1CXCR2GAANPC1
SCHEMBL12433224 0.75 PKM (0.41) KMT2AMEN1GAAPOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed