SCHEMBL17397282

SCHEMBL17397282

C=C(NC)C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL13116120 0.76 SMN1; SMN2 (0.44) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2654650 0.74 SMN1; SMN2 (0.47) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL109476 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAGAANPC1
SCHEMBL17397276 0.73 POLB (0.41) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL27650591 0.71 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2550524 0.71 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL191289 0.71 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL152231 0.71 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2558930 0.71 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8288869 0.71 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2LMNAGAA

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