SCHEMBL19632084

SCHEMBL19632084

Nc1nc2ccc(N=C=O)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
AXL P30530 1/20 0.51
GFER P55789 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8773469 0.77 PI4KA (0.59) RAB9AMAPTHTTAXLGFER
SCHEMBL8773467 0.77 PI4KA (0.59) RAB9AMAPTHTTAXLGFER
SCHEMBL4684501 0.75 RAB9A (0.56) RAB9AMAPTHTTAXLGFER
SCHEMBL1677741 0.74 NOS3 (0.68) RAB9AMAPTHTTAXLGFER
SCHEMBL9223659 0.71 L3MBTL1 (0.50) RAB9AMAPTGFERL3MBTL1ALDH1A1
SCHEMBL2275595 0.71 RAB9A (0.56) RAB9AMAPTHTTAXLGFER
SCHEMBL29646253 0.71 PIK3CA (0.82) RAB9AMAPTHTTAXLGFER
SCHEMBL334946 0.71 RAB9A (0.66) RAB9AMAPTHTTAXLGFER
SCHEMBL5532470 0.71 PIK3CA (0.82) RAB9AMAPTHTTAXLGFER
SCHEMBL28208524 0.71 NOS3 (0.50) RAB9AMAPTHTTAXLGFER

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-2017201155-A1 lSOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-11-23 WO disclosed