SCHEMBL6563651

SCHEMBL6563651

Cc1ccccc1C(=O)c1ccc(C#CCNc2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL6563213 0.88 KMT2A (0.39) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL6563532 0.86 ALDH1A1 (0.44) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL7675063 0.86 F2 (0.48) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL6565408 0.86 CNR1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6565480 0.84 GSK3B (0.47) ALDH1A1SMN1; SMN2SAE1UBA2GSK3A
SCHEMBL14454220 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL31186049 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14PRSS1
SCHEMBL6565441 0.79 KMT2A (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6563737 0.79 EGLN1 (0.45) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6564223 0.78 VNN1 (0.41) MAPK13MAPK12MAPK11MAPK14PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed