SCHEMBL6563213

SCHEMBL6563213

Cc1cc(C#CCNc2ccc(C#N)cc2)ccc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
VNN1 O95497 2/20 0.38
GRM5 P41594 1/20 0.37
SRD5A2 P31213 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL6563737 0.92 EGLN1 (0.45) KMT2AMEN1RAB9AEGLN1GRM5
SCHEMBL6563651 0.88 MAPK13 (0.45) KMT2APRSS1MEN1NPC1RAB9A
SCHEMBL6563532 0.87 ALDH1A1 (0.44) KMT2AF2PLGPLAUKLKB1
SCHEMBL6563277 0.87 F2 (0.41) F2PLGPLAUPRSS1EGLN1
SCHEMBL6564223 0.83 VNN1 (0.41) KMT2AF2PLGPLAUKLKB1
SCHEMBL6565231 0.83 GAA (0.41) KMT2AMRGPRX4POLBMAPT
SCHEMBL6562060 0.80 PLA2G7 (0.39) EGLN1VNN1GRM5LRRK2
SCHEMBL6565408 0.80 CNR1 (0.41) KMT2AMEN1NPC1RAB9AVNN1
SCHEMBL6565480 0.79 GSK3B (0.47) VNN1SRD5A2
SCHEMBL7808322 0.79 NPC1 (0.39) KMT2ANPC1RAB9AEGLN1VNN1

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