SCHEMBL6564460

SCHEMBL6564460

Cc1cc(C#CC(C)Nc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.51
F10 P00742 9/20 0.38
PRSS1 P07477 4/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5885506 0.91 ACACB (0.48) ACACBF10PRSS1HPGDTSHR
Hydrochloric Acid SCHEMBL5885815 0.90 ACACB (0.47) ACACBF10PRSS1HPGDTSHR
SCHEMBL6563640 0.89 ACACB (0.47) ACACBF10PRSS1HPGDMEN1
SCHEMBL6563505 0.87 ACACB (0.53) ACACBF10HPGD
SCHEMBL6561958 0.83 ACACB (0.49) ACACBF10PRSS1HPGDMEN1
SCHEMBL5885699 0.79 ACACB (0.50) ACACBTSHR
SCHEMBL5885709 0.77 ACACB (0.60) ACACBHPGDTSHRMEN1KMT2A
SCHEMBL5885600 0.76 ACACB (0.49) ACACBF10PRSS1KMT2APLG
SCHEMBL5885702 0.76 ACACB (0.46) ACACBF10PRSS1HPGDTSHR
SCHEMBL5885715 0.76 ACACB (0.59) ACACBHPGDTSHRMEN1KMT2A

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