SCHEMBL20033064

SCHEMBL20033064

CC(C)c1ccc2c(c1)oc1cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PKM P14618 1/20 0.40
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
POLB P06746 1/20 0.39
TBK1 Q9UHD2 2/20 0.37
IKBKE Q14164 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DHODH Q02127 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL2706167 0.88 BCHE (0.45) LMNABCHEACHETBK1IKBKE
SCHEMBL16806112 0.84 BCHE (0.42) LMNABCHEACHETBK1IKBKE
SCHEMBL29654967 0.82 MAPT (0.50) LMNAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL203439 0.82 MAPT (0.50) LMNAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL10118784 0.81 TBK1 (0.48) LMNAPKMBCHEACHETBK1
SCHEMBL9916225 0.79 AHR (0.53) BCHEACHEMAPTKDM4EALDH1A1
SCHEMBL9980264 0.79 ALDH1A1 (0.45) LMNABCHEACHEPOLBTBK1
SCHEMBL13506889 0.77 TBK1 (0.41) LMNABCHEACHETBK1IKBKE
SCHEMBL14295015 0.76 ALDH1A1 (0.42) LMNAPKMBCHEACHETBK1
SCHEMBL750059 0.76 CYP2A6 (0.36) LMNAPKMBCHEACHEMAPT

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
US-9938287-B1 Blue fluorescence dopant compound and organic electroluminescent device using the same NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-10 US disclosed
US-9938287-B1 Blue fluorescence dopant compound and organic electroluminescent device using the same NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-10 US disclosed