SCHEMBL7340241

SCHEMBL7340241

CCCCc1cccc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL3387462 0.88 TSHR (0.46) MAPTBIDMCL1BCL2L1BAK1
SCHEMBL28203981 0.86 PARP1 (0.42) MEN1KMT2ACYP3A4MAPTNR1I2
SCHEMBL4657626 0.84 TLR8 (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27806438 0.82 CES2 (0.40) MEN1KMT2AMAPTLMNABID
SCHEMBL7342960 0.80 TSHR (0.48) MEN1KMT2ACYP3A4MAPTNR1I2
SCHEMBL17058084 0.79 TSHR (0.39) MEN1KMT2ACYP3A4MAPTSMN1; SMN2
SCHEMBL30986122 0.79 TSHR (0.39) MEN1KMT2ACYP3A4MAPTSMN1; SMN2
SCHEMBL3387371 0.79 TSHR (0.49) CYP3A4BIDMCL1BCL2L1BAK1
SCHEMBL27491325 0.79 GPR35 (0.50) MAPTBIDMCL1BCL2L1BAK1
SCHEMBL29467784 0.79 GPR35 (0.50) MAPTBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN claimed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN claimed
EP-0819113-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-21 EP claimed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO claimed
CN-104341351-B A kind of Diarylthiohydantoin derivative and its application 北京海美源医药科技有限公司 2018-02-06 CN disclosed
CN-1073552-C Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACEUTICALS INC (US) 2001-10-24 CN disclosed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN disclosed