SCHEMBL6561984

SCHEMBL6561984

CCOC(=O)CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
KCNK3 O14649 2/20 0.39
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6563364 0.92 ITGB3 (0.36) MEN1RAB9AKMT2AGABRA1GABRG2
SCHEMBL6565523 0.92 ITGB3 (0.38) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6565372 0.91 ITGB3 (0.38) MEN1RAB9AKMT2AITGB3ITGA2B
SCHEMBL6565424 0.90 ITGB3 (0.42) ITGB3ITGA2BPRSS1HSD11B1F2
SCHEMBL7806157 0.87 MEN1 (0.38) MEN1RAB9AKMT2AGABRA1GABRG2
SCHEMBL6563779 0.86 KCNK3 (0.38) MEN1RAB9AKMT2AGABRA1GABRG2
SCHEMBL6562329 0.86 F2 (0.37) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7806160 0.85 MEN1 (0.40) MEN1RAB9AKMT2AGABRA1GABRG2
SCHEMBL6564957 0.85 F2 (0.38) ITGB3ITGA2BPRSS1HSD11B1F2
SCHEMBL6565845 0.85 F2 (0.36) ITGB3ITGA2BPRSS1HSD11B1F2

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