SCHEMBL4743077

SCHEMBL4743077

O=c1[nH]c2ccccc2cc1F.O=c1cc(Nc2ccccc2)[nH]c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CDC25B P30305 2/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47
▸ SAE1 Q9UBE0 2/20 0.47
▸ UBA2 Q9UBT2 2/20 0.47
▸ GALK1 P51570 1/20 0.47
▸ UBE2I P63279 1/20 0.47
▸ SMAD3 P84022 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL4082607 0.81 MAPT (0.68) MAPTHTT
SCHEMBL10617 0.78 DAO (0.60) MAPTKDM4EALDH1A1HPGD
SCHEMBL29370120 0.78 DAO (0.60) MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6506378 0.76 DAO (0.58) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL27818462 0.76 DAO (0.58) MAPTKDM4EALDH1A1HPGD
Formaldehyde SCHEMBL28001667 0.74 DAO (0.56) MAPTKDM4EALDH1A1HPGD
SCHEMBL29563733 0.73 MAPT (0.59) MAPTKDM4EAPAF1ALDH1A1THRB
SCHEMBL11829976 0.73 MAPT (0.59) MAPTKDM4EAPAF1ALDH1A1THRB
Acetic Acid SCHEMBL28431508 0.72 DAO (0.54) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL28439712 0.72 CA12 (0.67) MAPTKDM4EALDH1A1HPGD

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-2008094203-A2 POLAR ESTER PRODRUGS OF HETEROCYCLIC HYBRID ANTIBACTERIAL COMPOUNDS AND SALTS THEREOF MICROBIOTIX, INC. (US) 2008-08-07 — — WO disclosed
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