SCHEMBL7686729

SCHEMBL7686729

CC(C)(C)OC(=O)NC(=N)c1ccc(NCC#Cc2ccc(C(=O)N3CCC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
ACACB O00763 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 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
SCHEMBL7674981 0.98 ABL1 (0.43) PTPN11ACACBMEN1KMT2AABL1
SCHEMBL6565384 0.93 GRM5 (0.46) PTPN11ACACBMEN1KMT2AABL1
SCHEMBL6561858 0.91 GRM5 (0.47) PTPN11MEN1KMT2AABL1RIN1
SCHEMBL6565533 0.87 ACACB (0.45) PTPN11ACACBMEN1KMT2AABL1
SCHEMBL6561810 0.87 HSD11B1 (0.40) PTPN11ACACBABL1RIN1ALDH1A1
SCHEMBL6565339 0.86 HPGD (0.39) PTPN11ACACBMEN1KMT2AABL1
SCHEMBL6563002 0.86 HRH3 (0.42) PTPN11ALDH1A1NAMPTHPGDLMNA
SCHEMBL6563328 0.84 ACACB (0.36) PTPN11ACACBMEN1KMT2AABL1
SCHEMBL6563568 0.84 CNR2 (0.39) MEN1KMT2AABL1RIN1HTT
SCHEMBL6563511 0.84 PTPN11 (0.40) PTPN11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed