SCHEMBL29935634

SCHEMBL29935634

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CFB P00751 8/20 0.36
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 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
Lithium Ion SCHEMBL29941948 0.98 AR (0.43) ARKDM4EMAPTHPGDPOLB
SCHEMBL28847044 0.98 AR (0.43) ARKDM4EMAPTHPGDPOLB
Lithium SCHEMBL30899071 0.98 AR (0.43) ARKDM4EMAPTHPGDPOLB
SCHEMBL29935405 0.87 KDM4E (0.54) ARKDM4EMAPTHPGDPOLB
SCHEMBL28847079 0.85 KDM4E (0.53) ARKDM4EMAPTHPGDPOLB
Lithium Ion SCHEMBL29942256 0.85 KDM4E (0.53) ARKDM4EMAPTHPGDPOLB
Lithium SCHEMBL31238632 0.85 KDM4E (0.53) ARKDM4EMAPTHPGDPOLB
SCHEMBL7018936 0.77 TRPA1 (0.51) ARKDM4EMAPTHPGDALDH1A1
SCHEMBL1259286 0.75 AR (0.63) ARKDM4EMAPTHPGDPOLB
SCHEMBL29935431 0.72 PSMB8 (0.56) 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