SCHEMBL9730677

SCHEMBL9730677

CCOc1nc(N2CCOCC2)nc(N2CCN(c3nc(OCC)nc(N4CCOCC4)n3)CC2)n1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.97
MAPK1 P28482 3/20 0.97
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
TSHR P16473 2/20 0.57
POLB P06746 3/20 0.56
MAPT P10636 1/20 0.51
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
GALR3 O60755 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL28158993 0.95 SMN1; SMN2 (0.93) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9418627 0.85 TSHR (0.73) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL9418611 0.79 HTT (0.61) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL1310082 0.77 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL11873039 0.77 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL8973821 0.77 HTT (0.63) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL1391802 0.75 MEN1 (1.00) SMN1; SMN2MAPK1KMT2AMEN1L3MBTL1
SCHEMBL8277453 0.74 MAPK1 (0.73) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL10970203 0.74 ALDH1A1 (0.63) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1
SCHEMBL10970031 0.73 ALDH1A1 (0.58) SMN1; SMN2MAPK1KMT2AMEN1ALDH1A1

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
US-5099017-A N,N'-BIS-1,3,5-TRIAZIN-6-YLPIPERAZINES, AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
EP-0413999-A2 N,N-bis-1,3,5-triazine-6-yl-piperazines and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed