SCHEMBL6563672

SCHEMBL6563672

CCOC(=O)C(OC)c1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
F10 P00742 7/20 0.36
PRSS1 P07477 4/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6563750 0.91 F10 (0.39) ACACBF10PRSS1F2KDM1A
SCHEMBL6565336 0.87 ACACB (0.34) ACACBHPGDL3MBTL1KDM4EALDH1A1
SCHEMBL6561958 0.83 ACACB (0.49) ACACBF10PRSS1HPGDF2
SCHEMBL6563220 0.83 HPGD (0.44) ACACBF10PRSS1HPGDL3MBTL1
SCHEMBL6561849 0.83 F10 (0.37) ACACBF10PRSS1HPGDL3MBTL1
SCHEMBL6561838 0.81 F10 (0.36) ACACBF10PRSS1F2ALDH1A1
SCHEMBL6565351 0.81 F10 (0.44) ACACBF10PRSS1F2PLAU
SCHEMBL6565560 0.81 F10 (0.36) ACACBF10PRSS1HPGDL3MBTL1
SCHEMBL6561924 0.81 F10 (0.36) ACACBF10PRSS1HPGDL3MBTL1
SCHEMBL6563668 0.80 TPSAB1 (0.38) ACACBF10PRSS1F2PLAU

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