SCHEMBL28644683

SCHEMBL28644683

Brc1nnc2cccnc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
HSP90AA1 P07900 3/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL9058058 0.79 KDM4E (0.50) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL31330058 0.71 KDM4E (0.44) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL30895368 0.70 GPR3 (0.56) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL11199602 0.70 GPR3 (0.56) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL11222044 0.68 HSP90AA1 (0.45) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL31330029 0.68 MEN1 (0.44) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL14358282 0.68 KDM4E (0.42) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL1702822 0.67 GPR3 (0.59) KDM4EMAPTHTTTP53SMN1; SMN2
SCHEMBL1311427 0.66 PARP1 (0.39) KDM4EMAPTHSP90AA1HTTTP53
SCHEMBL498829 0.66 HSP90AA1 (0.58) KDM4EMAPTHSP90AA1HTTTP53

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-113423430-A Amanitoxin conjugates containing branched linkers 杭州多禧生物科技有限公司 2021-09-21 CN disclosed