SCHEMBL24327929

SCHEMBL24327929

O=C1C(Cl)=C(Nc2ccc(-c3ccccc3)cc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.51
▸ RAB9A P51151 9/20 0.51
▸ HTT P42858 8/20 0.51
▸ NPSR1 Q6W5P4 8/20 0.51
▸ MAPK1 P28482 7/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ GAA P10253 3/20 0.51
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ ATM Q13315 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MITF O75030 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ CDC25A P30304 3/20 0.48
▸ CDC25B P30305 3/20 0.48
▸ HK1 P19367 1/20 0.48
▸ CDC25C P30307 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48

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
SCHEMBL11220891 0.91 MAPT (0.59) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL12283415 0.84 MAPT (0.61) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL15906860 0.81 MAPT (0.58) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24328015 0.81 TOP2A (0.48) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24327528 0.78 AKT1 (0.52) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24327488 0.76 DHODH (0.54) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24327533 0.74 MAPT (0.44) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24327490 0.73 PGR (0.53) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL24327928 0.73 HKDC1 (0.49) MAPTRAB9AHTTNPSR1KMT2A
SCHEMBL24327530 0.72 FADS1 (0.42) MAPTRAB9AHTTNPSR1MAPK1

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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