SCHEMBL29935405

SCHEMBL29935405

N#Cc1cc2nc(C(F)(F)F)[nH]c2cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
AR P10275 4/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSNK1D P48730 1/20 0.37
CSNK1G2 P78368 1/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 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
SCHEMBL28847079 0.98 KDM4E (0.53) KDM4EMAPTHPGDPOLBALDH1A1
Lithium Ion SCHEMBL29942256 0.98 KDM4E (0.53) KDM4EMAPTHPGDPOLBALDH1A1
Lithium SCHEMBL31238632 0.98 KDM4E (0.53) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL29935634 0.87 AR (0.44) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL28847044 0.85 AR (0.43) KDM4EMAPTHPGDPOLBALDH1A1
Lithium Ion SCHEMBL29941948 0.85 AR (0.43) KDM4EMAPTHPGDPOLBALDH1A1
Lithium SCHEMBL30899071 0.85 AR (0.43) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL7655142 0.77 NPSR1 (0.53) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL7655150 0.77 ALDH1A1 (0.58) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL7018825 0.75 TRPA1 (0.53) KDM4EMAPTHPGDPOLBALDH1A1

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
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP claimed
EP-4060770-A1 BATTERY CELL, ELECTROLYTE MIXTURE AND USE OF AN ELECTROLYTE MIXTURE VOLKSWAGEN AG (DE) 2022-09-21 EP disclosed