SCHEMBL17397276

SCHEMBL17397276

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 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
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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) POLBALDH1A1ATML3MBTL1SMN1; SMN2
SCHEMBL2654650 0.74 SMN1; SMN2 (0.47) POLBALDH1A1L3MBTL1MMP1MMP2
SCHEMBL17397282 0.73 POLB (0.41) POLBALDH1A1ATMHTTL3MBTL1
SCHEMBL6772340 0.73 ALDH1A1 (0.42) ALDH1A1ATMHTTL3MBTL1HPGD
SCHEMBL27825690 0.71 ALDH1A1 (0.41) POLBALDH1A1HTTMMP1MMP2
SCHEMBL967287 0.70
SCHEMBL15049668 0.70 ALDH1A1 (0.43) ALDH1A1ATMMAPTHTTMMP1
SCHEMBL6444830 0.70 SMN1; SMN2 (0.41) ALDH1A1NPSR1HPGDSMN1; SMN2LMNA
SCHEMBL9851109 0.69 ALDH1A1 (0.48) POLBALDH1A1ATMHTTMMP1
Water SCHEMBL7299559 0.69 POLB (0.75) POLBALDH1A1MAPTNPSR1HTT

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