SCHEMBL24328015

SCHEMBL24328015

O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48
▸ MAPT P10636 9/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ HTT P42858 7/20 0.46
▸ NPSR1 Q6W5P4 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ MAPK1 P28482 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ PTPN6 P29350 1/20 0.42
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ ATM Q13315 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MITF O75030 2/20 0.40
▸ CDC25A P30304 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HK1 P19367 1/20 0.40

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
SCHEMBL12283415 0.87 MAPT (0.61) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL15906860 0.84 MAPT (0.58) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL11220891 0.83 MAPT (0.59) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL24327929 0.81 MAPT (0.51) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL24327528 0.80 AKT1 (0.52) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL24327495 0.78 NSD2 (0.49) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL24327488 0.75 DHODH (0.54) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL24327533 0.73 MAPT (0.44) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL197302 0.72 GPR55 (0.55) MAPTRAB9AHTTNPSR1NPC1
SCHEMBL29556949 0.72 GPR55 (0.55) MAPTRAB9AHTTNPSR1NPC1

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
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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