SCHEMBL8108845

SCHEMBL8108845

COCCN(CCOC)c1ncncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.39
CRHR1 P34998 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DYRK1A Q13627 1/20 0.34
CTH P32929 1/20 0.33
CDC7 O00311 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6269704 0.78
SCHEMBL7469761 0.76 SLC29A1 (0.37) SLC29A1CRHR1SMN1; SMN2NPC1RAB9A
SCHEMBL4723984 0.76 MAPT (0.41) CRHR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2115019 0.75 SLC29A1 (0.53) SLC29A1CRHR1SMN1; SMN2DYRK1ACTH
SCHEMBL11135158 0.71 SLC29A1 (0.39) SLC29A1SMN1; SMN2HSD17B10USP2ALDH1A1
SCHEMBL5824071 0.71 DNM1 (0.39) SLC29A1CRHR1SMN1; SMN2USP2CYP1A2
SCHEMBL4723956 0.70 TDP1 (0.37) SMN1; SMN2USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL14029791 0.69 DYRK1A (0.44) SLC29A1CRHR1SMN1; SMN2DYRK1ACDC7
SCHEMBL4765553 0.69 SMN1; SMN2 (0.39) CRHR1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL29135407 0.69 DNM1 (0.43) SLC29A1CRHR1SMN1; SMN2USP2CYP1A2

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-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP claimed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP claimed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed