SCHEMBL25242577

SCHEMBL25242577

O=[N+]([O-])c1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
CASP3 P42574 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PGR P06401 5/20 0.47
PLAU P00749 2/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
TDP2 O95551 2/20 0.45
PELI1 Q96FA3 1/20 0.44
ALOX5 P09917 1/20 0.44
SERPINE1 P05121 1/20 0.43
HIF1A Q16665 1/20 0.43
SCN5A Q14524 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
SCHEMBL1242136 0.84 PGR (0.52) MAPTMEN1TP53CASP3HTT
Dinitrophenylene SCHEMBL27868275 0.83 MEN1 (0.59) MAPTMEN1TP53CASP3HTT
SCHEMBL29469269 0.82 KMT2A (0.58) MAPTMEN1TP53CASP3HTT
SCHEMBL1130974 0.82 KMT2A (0.58) MAPTMEN1TP53CASP3HTT
SCHEMBL1242359 0.82 MEN1 (0.59) MAPTMEN1TP53CASP3HTT
SCHEMBL29832245 0.81 PDE4A (0.55) MAPTHTTKMT2ALMNATSHR
SCHEMBL29628993 0.80 SCN5A (0.54) MEN1KMT2ASCN5AALDH1A1
SCHEMBL8477184 0.80 PLAU (0.62) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL693976 0.78 HSPB1 (0.55) MAPTMEN1TP53CASP3HTT
SCHEMBL4516641 0.78 TSHR (0.64) MAPTLMNATSHRPGRTDP2

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-116234797-A Heterocyclic inhibitors of TEAD for the treatment of cancer 基因泰克公司 2023-06-06 CN disclosed
WO-2023097194-A2 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-01 WO disclosed