SCHEMBL9505742

SCHEMBL9505742

CC(O)CCCNc1nc(NCCCC(C)O)nc(NCCCC(C)O)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SLC29A1 Q99808 1/20 0.41
KMT2A Q03164 2/20 0.40
KCNH3 Q9ULD8 6/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6575691 0.72 KCNH3 (0.39) TSHRSLC29A1KMT2AKCNH3
SCHEMBL2783132 0.72 SLC29A1 (0.47) SLC29A1KMT2AKCNH3MEN1MAPK1
SCHEMBL8466516 0.72 ESR1 (0.45) CDK1CDK2ALDH1A1
SCHEMBL28589480 0.71 ALDH1A1 (0.41) TSHRKMT2AMEN1ALDH1A1
SCHEMBL2784655 0.70 SLC29A1 (0.45) SLC29A1KMT2AKCNH3MEN1MAPK1
SCHEMBL9008390 0.69 SLC29A1 (0.38) TSHRSLC29A1KMT2AKCNH3
SCHEMBL1291694 0.69 MAPT (0.59) GAAALDH1A1
SCHEMBL1338093 0.69
SCHEMBL2784426 0.69 SLC29A1 (0.57) SLC29A1KMT2AKCNH3
SCHEMBL3295993 0.69 KCNH3 (0.60) SLC29A1KMT2AKCNH3MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208376-B1 BRANCHED POLYCARBONATES CONTAINING 2,4,6-TRIS(4'-HYDROXYARYL)-AMINO-S-TRIAZINES ENICHEM S.p.A. (IT) 1993-09-15 EP disclosed
US-4857628-A Branched polycarbonate from 2,4,6-tris(4'-hydroxyaryl)-amino-S-triazine ENICHEM TECNORESINE, S.P.A. (IT) 1989-08-15 US disclosed
EP-0208376-A2 Branched polycarbonates containing 2,4,6-tris(4'-Hydroxyaryl)-amino-s-triazines ENICHEM S.p.A. (IT) 1987-01-14 EP disclosed