SCHEMBL31037844

SCHEMBL31037844

COc1ccccc1Oc1c(O)nc(Cc2ccccc2F)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 6/20 0.43
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTR6 P50406 2/20 0.39
ALPL P05186 1/20 0.38
HIF1A Q16665 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL31037845 0.89 HTR6 (0.46) DHPSL3MBTL1ALDH1A1TSHRTDP1
SCHEMBL31037839 0.85 DHPS (0.43) DHPSKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL31037817 0.84 DHPS (0.57) DHPSKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL31037840 0.84 DHPS (0.48) DHPSKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL31037841 0.81 DHPS (0.62) DHPSL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL31037800 0.79 DHPS (0.71) DHPS
SCHEMBL31037843 0.77 DHPS (0.52) DHPSL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL31037824 0.77 DHPS (0.74) DHPS
SCHEMBL7483960 0.75 HTT (0.48) DHPSL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL31037849 0.74 DHPS (0.49) DHPSKMT2AL3MBTL1MEN1ALDH1A1

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-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed