SCHEMBL6561959

SCHEMBL6561959

Cc1ccc(C(=O)N(C)CCc2ccccc2)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.41
PLAU P00749 2/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
F2 P00734 5/20 0.37
NAMPT P43490 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPN P05981 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPY5R Q15761 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
F7 P08709 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6561871 0.91 KMT2A (0.46) NAMPTF10
SCHEMBL6563250 0.85 PLAU (0.54) PLAUF2HPNF10PRSS1
SCHEMBL6561961 0.85 MLYCD (0.39) MLYCDROCK2ROCK1NAMPTMAPK14
SCHEMBL6563699 0.83 RAB9A (0.47) F2F10NPC1RAB9A
SCHEMBL6561828 0.80 MLYCD (0.44) MLYCDPLAUF2NAMPTMAPK14
SCHEMBL6563517 0.80 F2 (0.45) PLAUF2HPNF10PRSS1
SCHEMBL6565690 0.78 PLAU (0.54) PLAUF2HPNF10PRSS1
SCHEMBL7673677 0.77 CNR2 (0.42) F2NPC1RAB9A
SCHEMBL6565956 0.76 PLAU (0.49) PLAUF2F10NPC1RAB9A
SCHEMBL6565333 0.76 MEN1 (0.40)

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed