SCHEMBL5725522

SCHEMBL5725522

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1N1C(=O)c2ccncc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
RORC P51449 1/20 0.40
CYP1A2 P05177 2/20 0.35
METAP2 P50579 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 2/20 0.34
PDE2A O00408 1/20 0.34
PDE7A Q13946 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL11725481 0.79 ALDH1A1 (0.46) GRM1KDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL5726467 0.78 CA1 (0.49) GRM1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11723022 0.74 MEN1 (0.48) GRM1KDM4EALDH1A1SMN1; SMN2ESR1
SCHEMBL2916208 0.73 GRM1 (0.52) GRM1SMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL5418153 0.72 LMNA (0.42) GRM1SMN1; SMN2ESR1ESR2CYP1A2
SCHEMBL3374587 0.72 ANPEP (0.46) GRM1SMN1; SMN2ESR1ESR2LMNA
SCHEMBL5429466 0.72 GRM1 (0.51) GRM1SMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL5724888 0.72 ESR1 (0.36) GRM1SMN1; SMN2ESR1ESR2MEN1
SCHEMBL2918059 0.71 LMNA (0.40) GRM1SMN1; SMN2ESR1ESR2MEN1
SCHEMBL2916938 0.70 LMNA (0.40) GRM1SMN1; SMN2ESR1ESR2RORC

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-1188745-B1 HETEROCYCLIC DICARBOXYLIC ACID DIAMIDE DERIVATIVES, AGRICULTURAL/HORTICULTURAL INSECTICIDES AND METHOD OF USING THE SAME NIHON NOHYAKU CO LTD (JP) 2006-12-20 EP disclosed
US-6747041-B1 PROTECT USEFUL CROPS AGAINST INSECT PESTS, SUCH AS MOTHS, FLIES, WORMS, NEMATODES, CATERPILLARS NIHON NOHYAKU CO., LTD. (JP) 2004-06-08 US disclosed
EP-1188745-A1 HETEROCYCLIC DICARBOXYLIC ACID DIAMIDE DERIVATIVES, AGRICULTURAL/HORTICULTURAL INSECTICIDES AND METHOD OF USING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2002-03-20 EP disclosed