SCHEMBL17397283

SCHEMBL17397283

CC=C(N)C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
F2 P00734 1/20 0.37
ATM Q13315 1/20 0.34
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL30899506 0.95 ALDH1A1 (0.37) ALDH1A1F2ATMHPGDMEN1
SCHEMBL11055867 0.90 POLB (0.35) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL11303163 0.86 ALDH1A1 (0.34) ALDH1A1F2MEN1KMT2A
SCHEMBL11052035 0.81 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL17394891 0.74 ATM (0.31) ALDH1A1ATML3MBTL1MEN1KMT2A
SCHEMBL1302798 0.74 ALDH1A1 (0.46) ALDH1A1F2ATMHPGDL3MBTL1
SCHEMBL27419530 0.73 SMN1; SMN2 (0.36) ALDH1A1F2HPGDL3MBTL1KMT2A
SCHEMBL8288869 0.73 ALDH1A1 (0.56) ALDH1A1ATMHPGDMMP1MMP2
SCHEMBL4153578 0.72 ALDH1A1 (0.50) ALDH1A1F2ATMHPGDL3MBTL1
SCHEMBL5960405 0.72 ALDH1A1 (0.50) ALDH1A1F2ATMHPGDL3MBTL1

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
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed