SCHEMBL8200741

SCHEMBL8200741

C=C(OCC)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.53
PARP1 P09874 3/20 0.53
BRD4 O60885 1/20 0.51
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
GUSB P08236 3/20 0.49
KMT2A Q03164 1/20 0.48
MMP13 P45452 1/20 0.48
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.46
TNKS O95271 1/20 0.46
ELANE P08246 1/20 0.45
QTRT1 Q9BXR0 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL31716664 1.00 TNKS2 (0.53) TNKS2PARP1BRD4TOP2ATOP2B
SCHEMBL30782682 0.84 BRD4 (0.55) TNKS2PARP1BRD4GUSBKMT2A
SCHEMBL689576 0.84 BRD4 (0.55) TNKS2PARP1BRD4GUSBKMT2A
SCHEMBL8189588 0.84 LMNA (0.43) PARP1TOP2ATOP2BKMT2AMMP13
SCHEMBL8198084 0.84 KDM4E (0.46) PARP1KMT2ATP53ALDH1A1KDM4E
SCHEMBL8199597 0.83 KDM4C (0.59) MAPT
SCHEMBL8196890 0.82 PARP14 (0.42) TNKS2PARP1TOP2ATOP2BMMP13
SCHEMBL8189585 0.81 PARP1 (0.55) PARP1KMT2AMMP13ALDH1A1KDM4E
SCHEMBL8198835 0.81 PARP1 (0.55) TNKS2PARP1TNKS
SCHEMBL8188061 0.80 ALDH1A1 (0.36) BRD4TOP2ATOP2BKMT2AMMP13

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