SCHEMBL6563568

SCHEMBL6563568

Cc1cc(C(=O)N2CCCC2)ccc1C#CCNc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
GAA P10253 2/20 0.38
UBE2N P61088 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
PLA2G7 Q13093 1/20 0.34
HTT P42858 1/20 0.34
NAMPT P43490 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
SCHEMBL6565221 0.92 SMN1; SMN2 (0.41) GAAHPGDKMT2APOLBNAMPT
SCHEMBL6561938 0.90 ABL1 (0.36) CNR2ABL1RIN1GAAUBE2N
SCHEMBL6563605 0.87 GAA (0.37) GAAHPGDKMT2AMEN1HTT
SCHEMBL7674981 0.86 ABL1 (0.43) CNR2ABL1RIN1GAAHPGD
SCHEMBL6565533 0.85 ACACB (0.45) CNR2ABL1RIN1GAAKMT2A
SCHEMBL7686729 0.84 PTPN11 (0.43) CNR2ABL1RIN1HPGDKMT2A
SCHEMBL7671074 0.82 F10 (0.43) GAAHPGDTSHRKMT2AMEN1
SCHEMBL6561810 0.81 HSD11B1 (0.40) CNR2ABL1RIN1
SCHEMBL6565339 0.80 HPGD (0.39) CNR2ABL1RIN1GAAHPGD
SCHEMBL6563229 0.80 PLAU (0.37) TSHRKMT2AHTT

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