SCHEMBL3660749

SCHEMBL3660749

O=C(O)[C@]1(C(=O)OCc2ccccc2)CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8141759 1.00 DDB1 (0.48) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL24093870 0.96 DDB1 (0.49) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL10670488 0.96 DDB1 (0.49) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL6507174 0.82 DDB1 (0.47) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL7370052 0.82 DDB1 (0.47) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL11227277 0.81 DDB1 (0.43) DDB1CRBNALDH1A1
SCHEMBL11227280 0.81 DDB1 (0.43) DDB1CRBNALDH1A1
SCHEMBL17157158 0.81 DDB1 (0.48) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL7545247 0.80 DDB1 (0.43) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL11285714 0.78 DDB1 (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1

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-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 WO disclosed