SCHEMBL3838499

SCHEMBL3838499

CCS(=O)(=O)NC(=O)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PSIP1 O75475 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
KCNA5 P22460 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3834953 0.89 PTPN1 (0.38) HPGDLMNAMEN1KMT2AP4HTM
SCHEMBL1444553 0.84 MYC (0.44) KMT2AP4HTMKDM4EPTPN1MYC
SCHEMBL97054 0.77 KMT2A (0.43) HPGDLMNAKMT2ACA1KDM4E
SCHEMBL18662771 0.77 PTGS2 (0.53) HPGDLMNAMEN1KMT2AP4HTM
SCHEMBL3982704 0.75 TSHR (0.46) HPGDKMT2AKDM4EALDH1A1GAA
SCHEMBL295086 0.74 GAA (0.42) HPGDKDM4EALDH1A1GAA
SCHEMBL4904390 0.74 GAA (0.39) LMNAMEN1KMT2ACA1CA2
SCHEMBL4083916 0.73 BACE1 (0.38) LMNAKMT2AKDM4EALDH1A1GAA
SCHEMBL1370670 0.73 LMNA (0.54) HPGDLMNAMEN1KMT2ACA1
SCHEMBL224092 0.72 HDAC8 (0.46) LMNAMEN1KMT2ACA1KDM4E

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-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed