SCHEMBL8188263

SCHEMBL8188263

C=C(OCC)c1nc2c(OC)cccc2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 0.53
TNKS2 Q9H2K2 10/20 0.53
PARP1 P09874 5/20 0.53
PARP2 Q9UGN5 6/20 0.52
PARP14 Q460N5 1/20 0.44
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GUSB P08236 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL164147 0.86 TNKS (0.54) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL8198835 0.86 PARP1 (0.55) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL8200741 0.78 TNKS2 (0.53) TNKSTNKS2PARP1KDM4EGUSB
SCHEMBL31716664 0.78 TNKS2 (0.53) TNKSTNKS2PARP1KDM4EGUSB
SCHEMBL1387202 0.76 TNKS2 (0.66) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL17298078 0.75 TNKS2 (0.60) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL20837166 0.74 TNKS (0.49) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL8201209 0.72 PARP1 (0.56) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL3423314 0.72 TNKS (0.67) TNKSTNKS2PARP1PARP2PARP14
SCHEMBL15857995 0.72 TNKS (0.67) TNKSTNKS2PARP1PARP2PARP14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed