SCHEMBL7204764

SCHEMBL7204764

CC(NC(=O)CO)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
GPR139 Q6DWJ6 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
PKM P14618 1/20 0.58
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.56

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
SCHEMBL23080142 0.85 MAPT (0.71) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL19285674 0.85 GPR139 (0.66) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL6083488 0.85 GPR139 (0.66) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL12975495 0.85 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL12975787 0.85 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL7469811 0.85 MAPT (0.65) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL23122282 0.83 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL3198381 0.83 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL2938094 0.83 ALDH1A1 (0.66) MAPTGPR139ALDH1A1HPGDMEN1
SCHEMBL25336878 0.83 MAPT (0.63) MAPTGPR139ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852226-B1 PYRIMIDINE DERIVATIVES KOWA CO (JP) 2003-11-19 EP disclosed
US-5883092-A Pyrimidine derivatives as endothelin antagonists KOWA CO., LTD. (JP) 1999-03-16 US disclosed
EP-0852226-A1 PYRIMIDINE DERIVATIVES KOWA CO. LTD. (JP) 1998-07-08 EP disclosed