SCHEMBL1387868

SCHEMBL1387868

CC[C@@H](C(=O)O)N1Cc2ccccc2-n2ccnc2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
RIPK1 Q13546 8/20 0.35
MAPK14 Q16539 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8798458 0.77 TSHR (0.40) TSHRTP53GAAMEN1KMT2A
SCHEMBL16207990 0.75 TSHR (0.38) TSHRRIPK1GAAKDM4E
SCHEMBL1387873 0.73 RIPK1 (0.37) TSHRRIPK1MEN1KMT2AMAPT
SCHEMBL1388083 0.72 HTR2A (0.44) TSHRRIPK1MEN1KMT2AMAPT
SCHEMBL4828036 0.69 KDM4E (0.50) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL3762487 0.68 MAPK1 (0.49) MAPT
SCHEMBL3721702 0.67 LMNA (0.45) TSHRMAPTL3MBTL1KDM4E
SCHEMBL16993485 0.67 SLC6A3 (0.51) MEN1KMT2AMAPTALOX15KDM4E
SCHEMBL4019735 0.66 HPGD (0.34) TSHRRIPK1
Hydrochloric Acid SCHEMBL3719659 0.66 LMNA (0.44) TSHRMAPTL3MBTL1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP claimed
JP-H09501158-A 1997-02-04 JP claimed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP claimed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed