SCHEMBL9850693

SCHEMBL9850693

COc1ccc(-c2c[nH]c(-c3ncc[nH]3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.51
TLR9 Q9NR96 1/20 0.49
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
MAP3K11 Q16584 2/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KIT P10721 2/20 0.44
DYRK1A Q13627 1/20 0.44
GAA P10253 1/20 0.43
MPI P34949 1/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL26093677 0.84 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30387478 0.84 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL770667 0.84 SMPD3 (0.66) SMPD3TLR9TLR8TLR7MAP3K11
SCHEMBL5556380 0.83 MAPK1 (0.46) SMPD3KDM4EALDH1A1NPC1RAB9A
SCHEMBL3930805 0.80 DYRK1A (0.48) NPC1RAB9ASMN1; SMN2KITDYRK1A
SCHEMBL1660430 0.78 KDM4E (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7370877 0.76 MEN1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16428799 0.75 ADRA2A (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL443470 0.75 NISCH (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1425562 0.75 NISCH (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-0436948-A2 Inhibitor-containing photohardenable compositions having improved resolution E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP claimed
EP-0418855-A1 Photohardenable electrostatic element with improved backtransfer characteristics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-27 EP claimed