SCHEMBL15775596

SCHEMBL15775596

CCCCCC1=NC(=O)c2cccc(N)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
GCGR P47871 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KCNH2 Q12809 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
DHFR P00374 1/20 0.33
PABPC1 P11940 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TLR8 Q9NR97 3/20 0.32
ELANE P08246 2/20 0.32

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
SCHEMBL4859621 0.84 ELANE (0.42) GCGRMEN1MAPTKMT2AHTT
SCHEMBL15775198 0.80 MAPT (0.39) SMN1; SMN2KCNH2MAPTKMT2AHTT
SCHEMBL516238 0.77 PTPN1 (0.40) SMN1; SMN2KCNH2PTPN1GAAGPR84
SCHEMBL423378 0.73 PARP1 (0.40) PARP1DHFRPABPC1ALDH1A1TSHR
SCHEMBL472760 0.68 PTPN1 (0.42) KCNH2PTPN1GPR84TSHRNR1H2
SCHEMBL21065455 0.68 PTPN1 (0.42) KCNH2PTPN1GPR84TSHRNR1H2
SCHEMBL15775665 0.67 ALDH1A1 (0.40) PARP1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL7913644 0.66 TDP1 (0.39) PTPN1NR1H2NR1H3
SCHEMBL15775307 0.65 UGCG (0.41) SMN1; SMN2MEN1MAPTKMT2AKDM4E
SCHEMBL15775407 0.64 CCNE2 (0.44) PARP1SMN1; SMN2PTPN1MAPTKMT2A

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