SCHEMBL8618923

SCHEMBL8618923

O=c1nc(-c2ccc(Cl)cc2)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.59
TNKS2 Q9H2K2 4/20 0.59
PARP2 Q9UGN5 3/20 0.59
GUSB P08236 1/20 0.59
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 3/20 0.53
PDE10A Q9Y233 1/20 0.53
GAA P10253 3/20 0.51
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
PARP1 P09874 2/20 0.50
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NR1I3 Q14994 1/20 0.48
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL8618963 0.92 ALDH1A1 (0.56) TNKSTNKS2PARP2GUSBKDM4E
SCHEMBL2823766 0.86 ALDH1A1 (0.64) TNKSTNKS2KDM4EKMT2AGAA
SCHEMBL10628275 0.84 ALDH1A1 (0.61) TNKSTNKS2KDM4EKMT2AGAA
SCHEMBL15775687 0.84 TNKS (0.59) TNKSTNKS2KDM4EKMT2AGAA
SCHEMBL15775265 0.84 MAPT (0.68) TNKSTNKS2PARP2GAAPARP1
SCHEMBL8618978 0.84 KDM4E (0.61) TNKSTNKS2PARP2KDM4EKMT2A
SCHEMBL15775875 0.84 ALDH1A1 (0.49) TNKSTNKS2PARP2GUSBKDM4E
SCHEMBL15775502 0.84 PARP1 (0.59) TNKSTNKS2GUSBKMT2AGAA
SCHEMBL6887071 0.82 ALDH1A1 (0.52) TNKSTNKS2KDM4EKMT2AGAA
SCHEMBL3461430 0.81 ALDH1A1 (0.49) TNKSTNKS2PARP2GUSBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 US claimed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 US disclosed