SCHEMBL31069729

SCHEMBL31069729

COc1cccc(Oc2cnc(N)nc2-c2ccc(OC)cc2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 1.00
TSHR P16473 6/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
MEN1 O00255 11/20 0.87
KMT2A Q03164 11/20 0.87
NPSR1 Q6W5P4 7/20 0.71
CASP1 P29466 3/20 0.71
CASP7 P55210 3/20 0.71
KDM4E B2RXH2 1/20 0.71
LMNA P02545 8/20 0.65
ALDH1A1 P00352 6/20 0.65
TP53 P04637 5/20 0.65
USP2 O75604 4/20 0.65
MAPK1 P28482 4/20 0.64
HTT P42858 2/20 0.64
MAPK10 P53779 1/20 0.64
PTK2B Q14289 1/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64

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
SCHEMBL31069737 1.00 MAPT (1.00) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL31069736 0.86 MAPT (0.81) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL24189918 0.79 MAPT (0.71) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL22672410 0.74 KMT2A (1.00) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL4876579 0.68 MAPT (0.52) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL13842554 0.68 P2RX3 (0.63) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL28640002 0.67 KDM4E (1.00) MAPTTSHRNPC1RAB9AMEN1
SCHEMBL4046168 0.66 LTA4H (0.69) MEN1KMT2ASMN1; SMN2
SCHEMBL4457331 0.66 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL30488034 0.66 ADORA2A (0.72) ADORA2AADORA1

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
CN-118593506-A Application of compound a or derivative thereof in preparing medicine for preventing and treating liver fibrosis diseases 河北师范大学 2024-09-06 CN claimed
CN-118593506-A Application of compound a or derivative thereof in preparing medicine for preventing and treating liver fibrosis diseases 河北师范大学 2024-09-06 CN disclosed
CN-118593506-A Application of compound a or derivative thereof in preparing medicine for preventing and treating liver fibrosis diseases 河北师范大学 2024-09-06 CN disclosed