SCHEMBL3715453

SCHEMBL3715453

Fc1cc(CCc2ccccc2)cc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 5/20 0.52
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KDM4B O94953 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3712064 0.87 KDM4E (0.43) GLO1ADORA3ADORA2AADORA1KDM4E
SCHEMBL1148845 0.81 HRH1 (0.44) CYP3A4CYP2D6
SCHEMBL3717020 0.80 CCR1 (0.42) GLO1KDM4ENPC1L3MBTL1SMN1; SMN2
SCHEMBL28864802 0.80 LOXL2 (0.42) ADORA3ADORA2AADORA1KDM4ENPC1
Ammonia Solution, Strong SCHEMBL28864861 0.79 CCR1 (0.41) GLO1KDM4ENPC1L3MBTL1SMN1; SMN2
SCHEMBL3585252 0.78 PDE4A (0.46) KDM4EL3MBTL1PDE4APDE4BPDE4C
SCHEMBL25911521 0.77 CYP3A4 (0.55) KDM4ENPC1L3MBTL1PDE4APDE4B
SCHEMBL22411254 0.77 GLO1 (0.38) GLO1ADORA3ADORA2AADORA1KDM4E
SCHEMBL9275208 0.75 SLC40A1 (0.50) KDM4ENPC1L3MBTL1SMN1; SMN2SLC40A1
SCHEMBL25354572 0.71 DAO (0.57) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed