SCHEMBL9618347

SCHEMBL9618347

COC(=O)c1ccc(C=Cc2nc(N)nc(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 8/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 5/20 0.48
LMNA P02545 5/20 0.48
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ROCK1 Q13464 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44

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
SCHEMBL9618346 1.00 PTPN1 (0.54) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL71402 0.82 PTPN1 (0.73) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL31301140 0.82 PTPN1 (0.73) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL71401 0.82 PTPN1 (0.73) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5379059 0.82 PTPN1 (0.73) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL2627847 0.82 PTPN1 (0.73) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL8211756 0.80 PTPN1 (0.63) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL19893827 0.80 PTPN1 (0.63) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9000578 0.79 PTPN1 (0.61) PTPN1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9000600 0.79 PTPN1 (0.61) PTPN1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4300874-A None JP disclosed
JP-H04300874-A NEW 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE TSUMURA & CO 1992-10-23 JP disclosed