SCHEMBL30457977

SCHEMBL30457977

COc1ccc(C=Cc2ccc3cccc(O)c3n2)cc1.[Pb]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.74
KMT2A Q03164 15/20 0.74
NPC1 O15118 13/20 0.74
AGTR1 P30556 3/20 0.74
ECE2 P0DPD6 2/20 0.74
HSP90AA1 P07900 2/20 0.74
CD74 P04233 1/20 0.70
MIF P14174 1/20 0.70
RAB9A P51151 10/20 0.69
POLB P06746 2/20 0.69
OPRK1 P41145 1/20 0.69
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
PKM P14618 1/20 0.66
NFKB1 P19838 1/20 0.66
HTT P42858 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66

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
SCHEMBL7691066 0.99 MEN1 (0.76) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL7691068 0.99 MEN1 (0.76) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL29040606 0.97 MEN1 (0.74) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL12281165 0.85 MEN1 (1.00) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL12282414 0.84 CD74 (0.67) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL8344151 0.83 CD74 (1.00) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL12280972 0.82 MEN1 (1.00) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL3319480 0.81 CD74 (0.79) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL3317100 0.81 CD74 (0.79) MEN1KMT2ANPC1AGTR1ECE2
SCHEMBL12281827 0.81 MEN1 (0.80) MEN1KMT2ANPC1AGTR1ECE2

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-116444324-A Application of organic lead salt, composition and preparation method thereof 中国科学院上海有机化学研究所 2023-07-18 CN disclosed