SCHEMBL6565295

SCHEMBL6565295

Cc1cc(C(=O)N(C)c2ccccn2)c(C)cc1C#CCN(C)c1ccc(C(=N)N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PLAU P00749 1/20 0.34
TP53 P04637 3/20 0.34
PRMT5 O14744 2/20 0.34
NQO2 P16083 2/20 0.34
SLC22A2 O15244 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
HPN P05981 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SLC47A2 Q86VL8 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
THRB P10828 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6563712 0.87 PLAU (0.47) PPARGPLAUPOLBEGLN1
SCHEMBL6565182 0.86 PPARG (0.41) PPARGTP53PRMT5MAPTALDH1A1
SCHEMBL6561967 0.86 F2 (0.42) PLAUTP53PRMT5NQO2SLC22A2
SCHEMBL6563517 0.76 F2 (0.45) PLAUNQO2SLC22A2F2F10
SCHEMBL6762415 0.75 NOTUM (0.40) PLAUNQO2SLC22A2F2F10
SCHEMBL6562343 0.74 F2 (0.54) NQO2SLC22A2F2F10PLG
SCHEMBL6565497 0.74 PLAU (0.48) PLAUF2PRSS1PRSS2PRSS3
SCHEMBL6565956 0.73 PLAU (0.49) PLAUF2F10PLGPLAT
SCHEMBL6563622 0.72 KMT2A (0.43) PPARGPOLBMEN1KMT2AEGLN1
SCHEMBL6562387 0.72 NQO2 (0.51) TP53NQO2SLC22A2F2F10

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