SCHEMBL1740255

SCHEMBL1740255

CC(C)NC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCN43)CC2)c(F)c1.O=C1Nc2cc(CO)cnc2N2CCC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TNK1 Q13470 2/20 0.40
TNK2 Q07912 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
SCHEMBL706105 0.97 PARP1 (0.45) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL1742046 0.92 PARP1 (0.48) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL708471 0.90 PARP1 (0.51) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL717033 0.89 PARP1 (0.51) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL1742000 0.89 PARP1 (0.49) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL710075 0.88 PARP1 (0.52) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL707459 0.88 PARP1 (0.52) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL708545 0.88 PARP1 (0.50) PARP1TNK1TNK2
SCHEMBL18614339 0.86 PARP1 (0.49) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL708424 0.86 PARP1 (0.49) PARP1ALOX15HSD17B10MEN1KMT2A

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
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 EP disclosed