SCHEMBL6566092

SCHEMBL6566092

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)NC1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
CHEK1 O14757 10/20 0.39
CDK2AP1 O14519 3/20 0.39
SUV39H1 O43463 1/20 0.37
PRMT1 Q99873 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
MAPK14 Q16539 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL6563137 0.78 KLK5 (0.37) F7F3F2F10PLG
SCHEMBL6564290 0.75 ACACB (0.39) F7F3F2F10PLG
SCHEMBL7675036 0.75 F10 (0.42) F7F3F2F10PLG
SCHEMBL6563277 0.75 F2 (0.41) MAPK14F7F3F2F10
SCHEMBL6565886 0.75 F7 (0.35) F7F3F2F10PLG
SCHEMBL6565512 0.75 GAA (0.40) F2F10PLAU
SCHEMBL6561958 0.74 ACACB (0.49) F7F3F2F10PLG
SCHEMBL6563588 0.74 F2 (0.41) F7F3F2F10PLG
SCHEMBL6565349 0.74 F2 (0.38) F7F3F2F10PLG
SCHEMBL6561848 0.74 KDM1A (0.41) KDM1AF2PLG

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