SCHEMBL31069736

SCHEMBL31069736

COc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.81
MEN1 O00255 10/20 0.81
KMT2A Q03164 10/20 0.81
NPSR1 Q6W5P4 7/20 0.81
CASP1 P29466 3/20 0.81
CASP7 P55210 3/20 0.81
KDM4E B2RXH2 1/20 0.81
LMNA P02545 9/20 0.77
ALDH1A1 P00352 4/20 0.77
TP53 P04637 3/20 0.77
MAPK1 P28482 2/20 0.77
TSHR P16473 4/20 0.76
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
POLB P06746 2/20 0.62
MAPK10 P53779 2/20 0.62
HTT P42858 1/20 0.62
PTK2B Q14289 1/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62

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 0.86 MAPT (1.00) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL31069729 0.86 MAPT (1.00) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL22672410 0.73 KMT2A (1.00) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL6480001 0.69 MAPT (0.49) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL24189918 0.68 MAPT (0.71) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL18988688 0.68 ALDH1A1 (0.67) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28394744 0.67 KMT2A (0.67) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL3366418 0.66 ADORA2A (0.56) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL28640002 0.66 KDM4E (1.00) MAPTMEN1KMT2ANPSR1CASP1
SCHEMBL13195727 0.66 TLR7 (0.57)

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-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