SCHEMBL8326314

SCHEMBL8326314

COC(CO)CN(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
PDE6D O43924 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
RIPK1 Q13546 2/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
NSD2 O96028 1/20 0.37
TRPA1 O75762 1/20 0.37
TSPO P30536 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
SCHEMBL8324544 0.87 TDP1 (0.41) TDP1POLBAPEX1YAP1TEAD4
SCHEMBL8329333 0.84 KDM1A (0.40) TDP1POLBAPEX1YAP1TEAD4
SCHEMBL8328152 0.81 RIPK1 (0.38) TDP1YAP1TEAD4TEAD2ALDH1A1
SCHEMBL8330238 0.79 TDP1 (0.42) TDP1ALDH1A1LMNATAS2R14MMP1
SCHEMBL11296566 0.78 CYP2C9 (0.32)
SCHEMBL7609127 0.76 ALDH1A1 (0.50) TDP1POLBAPEX1YAP1TEAD4
SCHEMBL8330600 0.73 KDM1A (0.39) YAP1TEAD4TEAD2MAPTRIPK1
SCHEMBL8328009 0.69 ADRB2 (0.44) TDP1POLBAPEX1YAP1TEAD4
SCHEMBL6078000 0.69 LMNA (0.55) TDP1POLBAPEX1YAP1TEAD4
SCHEMBL8328142 0.68 HDAC1 (0.47) TDP1POLBAPEX1ALDH1A1LMNA

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed