SCHEMBL15775394

SCHEMBL15775394

O=c1[nH]c(-c2ccccc2)nc2cscc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.68
TNKS2 Q9H2K2 12/20 0.68
PARP1 P09874 6/20 0.68
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
KDM4C Q9H3R0 1/20 0.57
GUSB P08236 5/20 0.55
PARP2 Q9UGN5 3/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 3/20 0.51
WNT3A P56704 1/20 0.51

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
SCHEMBL30440950 0.87 HPGD (0.65) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL258433 0.81 TNKS (1.00) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL29592833 0.81 TNKS (1.00) TNKSTNKS2PARP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31529601 0.80 TNKS (0.96) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL2617083 0.80 TNKS (0.77) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL6124189 0.78 TNKS (0.93) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL6885282 0.78 TNKS (0.93) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL14259681 0.76 TNKS (0.66) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL2744822 0.76 NPC1 (0.61) TNKSTNKS2PARP1ALDH1A1HPGD
SCHEMBL3460177 0.75 HPGD (1.00) TNKSTNKS2PARP1ALDH1A1HPGD

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