SCHEMBL15775391

SCHEMBL15775391

O=c1nc(-c2ccccc2)[nH]c2cscc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.46
PARP1 P09874 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
GAA P10253 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 4/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSK3B P49841 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
SCHEMBL2823766 0.80 ALDH1A1 (0.64) TNKSPARP1TNKS2GAARAB9A
SCHEMBL2744822 0.76 NPC1 (0.61) TNKSPARP1TNKS2GAARAB9A
SCHEMBL15775394 0.74 TNKS (0.68) TNKSPARP1TNKS2GAARAB9A
SCHEMBL8618963 0.74 ALDH1A1 (0.56) TNKSPARP1TNKS2GAARAB9A
SCHEMBL15775281 0.73 KDM4C (0.56) TNKSPARP1TNKS2GAARAB9A
SCHEMBL3497007 0.72 RXFP1 (0.69) TNKSPARP1TNKS2GAAALDH1A1
SCHEMBL11309014 0.72 ALDH1A1 (0.59) TNKSPARP1TNKS2GAARAB9A
SCHEMBL8620408 0.70 NR1I3 (0.54) TNKSPARP1TNKS2GAARAB9A
SCHEMBL24392021 0.70 PDE3B (0.63) TNKSTNKS2RAB9ANPC1ALDH1A1
SCHEMBL29588668 0.70 PDE3B (0.63) TNKSTNKS2RAB9ANPC1ALDH1A1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed