SCHEMBL5232156

SCHEMBL5232156

NC(=O)c1cccc(CCCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.53
MEP1B Q16820 1/20 0.49
F10 P00742 1/20 0.47
ADRA1D P25100 1/20 0.46
FOLH1 Q04609 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
IDH1 O75874 1/20 0.44
VNN1 O95497 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL30955451 0.85 PARP1 (0.57) PARP1MEP1BF10ADRA1DFOLH1
SCHEMBL185773 0.85 PARP1 (0.57) PARP1MEP1BF10ADRA1DFOLH1
SCHEMBL10189495 0.83 PARP1 (0.56) PARP1MEP1BFOLH1OPRM1OPRD1
SCHEMBL8342426 0.83 TAAR1 (0.55) PARP1MEP1BFOLH1
SCHEMBL3054119 0.83 CYP4F2 (0.62) PARP1MEP1BF10FOLH1IDH1
SCHEMBL27649226 0.83 FOLH1 (0.61) MEP1BFOLH1MRGPRX4
SCHEMBL5207992 0.83 CYP4F2 (0.45) FOLH1MRGPRX4CYP4F2CYP4A11TSHR
SCHEMBL11217303 0.82 ALDH1A1 (0.56) CYP4F2CYP4A11MAPTL3MBTL1
SCHEMBL31487553 0.81 PARP1 (0.53) PARP1MEP1BFOLH1IDH1CYP4F2
SCHEMBL5645749 0.81 PARP1 (0.53) PARP1MEP1BF10ADRA1DFOLH1

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-1869055-A1 NOVEL 5,7-DISUBSTITUTED Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDIN-2(3H)-ONE DERIVATIVES AstraZeneca AB (SE) 2007-12-26 EP disclosed
EP-1869056-A1 NOVEL 5-SUBSTITUTED 7-AMINO-Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006107258-A1 NOVEL 5-SUBSTITUTED 7-AMINO-[1,3]THIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
WO-2006107257-A1 NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES ASTRAZENECA AB (SE) 2006-10-12 WO disclosed