SCHEMBL30334516

SCHEMBL30334516

O=[N+]([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ENPP2 Q13822 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PGR P06401 1/20 0.47
PYGL P06737 1/20 0.47
HSPB1 P04792 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
RAB9A P51151 1/20 0.46
GPR17 Q13304 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL26215299 1.00 ALDH1A1 (0.54) ALDH1A1LTA4HPTGS2MAPTKDM4E
Dinitrophenylene SCHEMBL27323145 0.94 LMNA (0.55) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL24168437 0.89 MAPT (0.54) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL9157220 0.88 ALDH1A1 (0.51) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL8152290 0.88 MAPT (0.48) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL9158141 0.87 ALDH1A1 (0.67) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL9356592 0.87 ALDH1A1 (0.67) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL2576415 0.85 ALDH1A1 (0.61) ALDH1A1LTA4HMAPTKDM4ENPSR1
SCHEMBL8999322 0.85 ALDH1A1 (0.54) ALDH1A1LTA4HPTGS2MAPTKDM4E
SCHEMBL1242359 0.85 MEN1 (0.59) ALDH1A1LTA4HPTGS2MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490201-A Inhibitors of YAP/TAZ-TEAD tumor proteins, their synthesis and use 布里奇恩生物科学公司 2023-07-25 CN disclosed
EP-4175658-A1 INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF Bridgene Biosciences, Inc. (US) 2023-05-10 EP disclosed