SCHEMBL805859

SCHEMBL805859

Bc1ccc(-c2nc3ccccc3s2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.60
NPC1 O15118 11/20 0.60
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP19A1 P11511 1/20 0.48
ILK Q13418 3/20 0.46
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
GAA P10253 3/20 0.46
GLA P06280 2/20 0.46
APP P05067 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL787048 0.83 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7208787 0.81 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL787769 0.80 NPC1 (0.60) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27451504 0.80 APP (0.63) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11426677 0.80 RAB9A (0.60) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24156046 0.80 RAB9A (0.60) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20715388 0.80 RAB9A (0.63) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11429831 0.78 RAB9A (0.57) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14614708 0.78 RAB9A (0.57) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10045301 0.77 RAB9A (0.69) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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
WO-2012037269-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-03-22 WO disclosed