SCHEMBL4192846

SCHEMBL4192846

COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4193276 0.90 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1RAB9APPARG
SCHEMBL5223641 0.85 PPARG (0.52) ALDH1A1KMT2AMEN1RAB9APPARG
SCHEMBL8331088 0.81 MEN1 (0.47) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL4199022 0.81 CNR1 (0.64) ALDH1A1SMN1; SMN2HPGD
SCHEMBL4188676 0.79 DRD3 (0.56) ALDH1A1KMT2AGAAHSD17B10POLB
SCHEMBL5236575 0.77 CNR1 (0.66) ALDH1A1KMT2ARAB9APPARGMAPT
SCHEMBL4200900 0.77 BCL3 (0.61) ALDH1A1GAATSHRPOLBKDM4E
SCHEMBL4196595 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL4191620 0.76 POLB (0.63) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL5224971 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1RAB9AMAPT

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-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed