SCHEMBL8901159

SCHEMBL8901159

O=c1[nH]c(C(F)(F)F)ncc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PKM P14618 2/20 0.35
KMO O15229 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MDM2 Q00987 1/20 0.34
HSD17B2 P37059 1/20 0.34
TDP2 O95551 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL8188057 0.72 ABCC8 (0.43) PDE3BPDE3AABCC8KCNJ11GPBAR1
SCHEMBL16455584 0.68 PDE3B (0.43) PDE3BPDE3AABCC8KCNJ11GPBAR1
SCHEMBL29654696 0.67 PDE3B (0.42) PDE3BPDE3AABCC8KCNJ11MEN1
SCHEMBL9135463 0.66 ALDH1A1 (0.52) KMOMEN1ALDH1A1HPGDKMT2A
SCHEMBL24596395 0.65 HCAR2 (0.40) KDM5AKDM4CHCAR2PKMALDH1A1
SCHEMBL14844997 0.65 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL31505536 0.65 GPBAR1 (0.42) ABCC8KCNJ11GPBAR1PKMKMO
SCHEMBL17808314 0.65 PDE3B (0.40) PDE3BPDE3AABCC8KCNJ11GPBAR1
SCHEMBL8178066 0.64 ABCC8 (0.43) PDE3BPDE3AABCC8KCNJ11GPBAR1
SCHEMBL5777624 0.63 PDE3B (0.38) PDE3BPDE3AABCC8KCNJ11GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9301957-A None JP disclosed
JP-H09301957-A PYRIMIDIN-4-ONE DERIVATIVE, ITS USE, PRODUCTION INTERMEDIATE THEREFOR AND PRODUCTION OF THE SAME PRODUCTION INTERMEDIATE SUMITOMO CHEM CO LTD 1997-11-25 JP disclosed