SCHEMBL6563220

SCHEMBL6563220

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
F10 P00742 5/20 0.43
PRSS1 P07477 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ACACB O00763 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6561958 0.89 ACACB (0.49) HPGDF10PRSS1MEN1KMT2A
SCHEMBL6565351 0.88 F10 (0.44) F10PRSS1HSD11B1ACACB
SCHEMBL6563597 0.86 F10 (0.38) F10PRSS1ACACB
SCHEMBL6565323 0.85 F7 (0.38) HPGDF10PRSS1ACACB
SCHEMBL6563750 0.85 F10 (0.39) F10PRSS1HSD11B1ACACB
SCHEMBL6563675 0.85 F10 (0.47) HPGDF10PRSS1MEN1KMT2A
SCHEMBL6565339 0.84 HPGD (0.39) HPGDLMNATSHRMEN1KMT2A
SCHEMBL6563450 0.84 F10 (0.48) HPGDF10PRSS1L3MBTL1ACACB
SCHEMBL6565233 0.83 ACACB (0.39) HPGDF10PRSS1ACACB
SCHEMBL7670689 0.83 F10 (0.39) F10PRSS1ACACB

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