SCHEMBL990036

SCHEMBL990036

CC(C)(C)n1cc(Br)c(-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 8/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
CSNK1D P48730 3/20 0.39
CSNK1E P49674 2/20 0.39
AHR P35869 1/20 0.36
CSNK1A1 P48729 2/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
FRK P42685 1/20 0.35
MAPK9 P45984 1/20 0.35
MAOB P27338 1/20 0.34
BRAF P15056 2/20 0.33
POLB P06746 2/20 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
SCHEMBL16105691 0.85 SRC (0.37) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3846787 0.78 POLB (0.39) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1554588 0.77 CSNK1D (0.57) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4313628 0.77 ABCC8 (0.41) ALDH1A1LMNAHTTMAPTPTGS2
SCHEMBL17777920 0.75 MAPK14 (0.38) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1648069 0.75 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL1555263 0.75 MAPK14 (0.40) KDM4EALDH1A1MAPK14MAPK11MAPK13
SCHEMBL2161744 0.74 MAPK14 (0.38) KDM4EALDH1A1SMN1; SMN2MAPK14MAPK11
SCHEMBL1554909 0.73 NPC1 (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29732965 0.73 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12CSNK1D

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
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed