SCHEMBL1740264

SCHEMBL1740264

O=C(O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCCN43)CC2)nc1.O=C1Nc2cc(CO)cnc2N2CCCC[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.45
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TNK1 Q13470 3/20 0.38
TNK2 Q07912 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL709173 0.97 PARP1 (0.48) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL706995 0.97 PARP1 (0.48) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL706640 0.94 ALOX15 (0.48) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL708323 0.94 ALOX15 (0.48) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL1740260 0.90 PARP1 (0.46) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL709447 0.87 PARP1 (0.49) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL707519 0.87 PARP1 (0.49) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL713960 0.87 PARP1 (0.49) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL708792 0.87 PARP1 (0.52) PARP1ALOX15HSD17B10KDM4EMEN1
SCHEMBL708669 0.86 PARP1 (0.44) PARP1ALOX15HSD17B10KDM4EMEN1

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