SCHEMBL29149455

SCHEMBL29149455

O=[N+]([O-])c1cc(Oc2ccc(F)c(F)c2)ccc1-c1nnco1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TLR8 Q9NR97 3/20 0.41
NOTUM Q6P988 5/20 0.40
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL29938158 1.00 MAPT (0.50) MAPTTLR8NOTUMSOS1ALDH1A1
SCHEMBL31009336 0.83 MAPT (0.48) MAPTTLR8NOTUMHTTHPGD
SCHEMBL31009370 0.81 NOTUM (0.49) MAPTTLR8NOTUMHTTHPGD
SCHEMBL24751455 0.80 NOTUM (0.44) MAPTTLR8NOTUMSOS1HTT
SCHEMBL29149347 0.75 DRD1 (0.39) MAPTSOS1ALDH1A1HTTKDM4E
SCHEMBL31009348 0.75 DRD1 (0.39) MAPTSOS1ALDH1A1HTTKDM4E
SCHEMBL29938948 0.72 SCN4A (0.42) MAPTSOS1ALDH1A1HTTKDM4E
SCHEMBL30078175 0.72 MAPT (0.43) MAPTTLR8NOTUMALDH1A1HTT
SCHEMBL10549607 0.71 L3MBTL1 (0.56) MAPTTLR8NOTUMALDH1A1NPC1
SCHEMBL31009494 0.70 ALDH1A1 (0.47) SOS1ALDH1A1HTT

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-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed