SCHEMBL6979118

SCHEMBL6979118

CCc1ccnc(NC(=O)C2CC2C(=O)Nc2ccc(C=NN)cc2)c1CCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
NAMPT P43490 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6978226 0.85 MEN1 (0.34) ALDH1A1KMT2AMEN1L3MBTL1NAMPT
SCHEMBL9260591 0.85 MEN1 (0.34) ALDH1A1KMT2AMEN1L3MBTL1NAMPT
SCHEMBL6979099 0.83 ITGB3 (0.40)
SCHEMBL6972945 0.73 PARP1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL7351854 0.72 PARP1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL7420630 0.70 KMT2A (0.39) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL9260010 0.70 POLB (0.35) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL8788897 0.70 SHMT2 (0.35) L3MBTL1FFAR1
SCHEMBL6981154 0.70 KMT2A (0.43) KMT2AMEN1L3MBTL1POLBMAPT
SCHEMBL9425694 0.69 TRPM8 (0.38) KMT2AMEN1L3MBTL1NAMPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed