SCHEMBL3870748

SCHEMBL3870748

COc1ccc([C](C)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
PKM P14618 3/20 0.61
CDK5 Q00535 2/20 0.61
PAX8 Q06710 2/20 0.61
CDK5R1 Q15078 2/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 7/20 0.56
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
F2 P00734 1/20 0.51
POLB P06746 1/20 0.51
CLK4 Q9HAZ1 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
SCHEMBL29289270 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL3347086 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL3816367 0.81 KMT2A (0.59) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL11816880 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL8900626 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL6964088 0.78 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL1921316 0.77 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2PKMHPGD
SCHEMBL15988688 0.76 RAB9A (0.62) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL8708792 0.76 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2PAX8HPGD
SCHEMBL5788885 0.75 CES2 (0.67) RAB9ANPC1SMN1; SMN2PKMCDK5

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-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed