SCHEMBL28293113

SCHEMBL28293113

COCCOc1cc2ccccc2nc1OCCOC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
TLR8 Q9NR97 9/20 0.51
KDM1A O60341 3/20 0.47
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
STAT3 P40763 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7544859 0.79 SMN1; SMN2 (0.50) TLR8HTTSMN1; SMN2STAT3ALDH1A1
SCHEMBL27498521 0.79 TSHR (0.54) TSHRTLR8KDM1ASMN1; SMN2ALDH1A1
SCHEMBL27929761 0.79 TLR8 (0.47) TSHRTLR8KDM1AHTTSMN1; SMN2
SCHEMBL28310888 0.78 TLR8 (0.68) TSHRTLR8HTTSMN1; SMN2STAT3
SCHEMBL22278945 0.78 PPARA (0.53) TSHRHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL28102697 0.75 PDGFRB (0.67) TSHRTLR8KDM1AHTTALDH1A1
SCHEMBL27696506 0.75 MAPT (0.59) TSHRTLR8KDM1ASMN1; SMN2ALDH1A1
SCHEMBL22631546 0.72 NQO2 (0.55) TSHRKDM1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8560716 0.72 TSHR (0.49) TSHRKDM1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3461189 0.72 KDM4E (0.64) TSHRTLR8KDM1AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641056-A Pharmaceutical composition 协和发酵麒麟株式会社 2019-04-16 CN disclosed