SCHEMBL5897545

SCHEMBL5897545

CN(C(=O)O)c1ccc(C#N)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NSD2 O96028 1/20 0.32
RIPK1 Q13546 1/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
MAPT P10636 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
SCHEMBL5029939 0.77 GRIA2 (0.32) RIPK1GRIA2GRIA4PGR
SCHEMBL22648150 0.76 PGR (0.33) KMT2AALDH1A1MEN1MAPTPGR
SCHEMBL9943768 0.73 DAO (0.45) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL24992381 0.69 KDM4E (0.34) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3960184 0.68 DAO (0.48) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL6323918 0.68 GPR119 (0.39) PGR
SCHEMBL5879615 0.68 GPR35 (0.36) NSD2KMT2A
SCHEMBL352339 0.67 L3MBTL1 (0.56) RIPK1ALDH1A1NPC1RAB9AHPGD
SCHEMBL7205892 0.67 F2 (0.52) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5903739 0.65 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9AMEN1

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
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed