SCHEMBL6364384

SCHEMBL6364384

CCCCCCCCOc1ccc(C#Cc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.62
CYP3A4 P08684 2/20 0.62
LMNA P02545 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
NR5A1 Q13285 1/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL10300046 0.89 NR5A1 (0.66) LMNANPC1NR5A1KDM4EALDH1A1
SCHEMBL15559300 0.89 NR5A1 (0.66) LMNANPC1NR5A1KDM4EALDH1A1
SCHEMBL1996527 0.86 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL4887124 0.86 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL1573619 0.86 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL1874710 0.86 CYP2D6 (0.69) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL29390021 0.84 NR5A1 (0.59) LMNANPC1NR5A1KDM4EALDH1A1
SCHEMBL27761241 0.84 NR5A1 (0.59) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL22145062 0.84 CYP2D6 (0.71) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL9335225 0.83 NR5A1 (0.58) LMNANPC1NR5A1KDM4EALDH1A1

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-20050041196-A1 Display apparatus SHARP KABUSHIKI KAISHA (JP) 2005-02-24 US disclosed