SCHEMBL20172568

SCHEMBL20172568

CCCc1ccc(CCCCc2cccc(C)n2)c2c1-c1cccc3cccc-2c13

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 3/20 0.32
CTSG P08311 3/20 0.32
CYP1B1 Q16678 1/20 0.31
TLR8 Q9NR97 2/20 0.31
HSD17B3 P37058 1/20 0.31
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30
FGFR3 P22607 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL13258320 0.95 KCNH2 (0.46) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL87415 0.80 ELANE (0.44) KCNH2KDM4EALDH1A1TDP1ELANE
SCHEMBL10373980 0.75 KCNH2 (0.74) KCNH2TDP1SMN1; SMN2TLR8NOS2
SCHEMBL9971347 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL22299298 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL16228294 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL16228298 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL16227752 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL26162438 0.73 KCNH2 (0.78) KCNH2SMN1; SMN2
SCHEMBL681574 0.73 KCNH2 (0.64) KCNH2GRM5SMN1; SMN2HSD17B3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396801-B1 OLED DEVICE WITH FLUORANTHENE-MACROCYCLIC MATERIALS GLOBAL OLED TECHNOLOGY LLC (US) 2018-05-23 EP disclosed