SCHEMBL6565339

SCHEMBL6565339

COc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.37
PTPN11 Q06124 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6565533 0.92 ACACB (0.45) HSD11B1MEN1KMT2AACACBPTPN11
SCHEMBL6561810 0.91 HSD11B1 (0.40) HSD11B1ACACBPTPN11ABL1RIN1
SCHEMBL6563328 0.89 ACACB (0.36) HSD11B1MEN1KMT2AACACBPTPN11
SCHEMBL7674981 0.88 ABL1 (0.43) HPGDLMNAMEN1KMT2AACACB
SCHEMBL7686729 0.86 PTPN11 (0.43) HPGDLMNAMEN1KMT2AACACB
SCHEMBL6565336 0.85 ACACB (0.34) HPGDHSD11B1KMT2AACACBPTPN11
SCHEMBL6565093 0.85 ACACB (0.35) HPGDACACBPTPN11L3MBTL1ABL1
SCHEMBL6561973 0.84 JAK1 (0.38) HPGDKMT2AACACBPTPN11PIK3CA
SCHEMBL6563220 0.84 HPGD (0.44) HPGDTSHRLMNAHSD11B1MEN1
SCHEMBL6563912 0.84 ACACB (0.34) HPGDACACBPTPN11L3MBTL1ABL1

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