SCHEMBL8558757

SCHEMBL8558757

CCCCc1cccc(C(N)=O)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.45
MCL1 Q07820 6/20 0.45
BCL2L1 Q07817 5/20 0.45
BAK1 Q16611 5/20 0.45
MAPT P10636 3/20 0.45
KAT8 Q9H7Z6 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 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
SCHEMBL7158098 0.95 BID (0.51) BIDMCL1BCL2L1BAK1MAPT
SCHEMBL5685695 0.90 MAPT (0.42) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL30742732 0.90 MAPT (0.42) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL7157314 0.87 G6PD (0.53) BIDMCL1BCL2L1BAK1MAPT
SCHEMBL10796955 0.85 G6PD (0.51) BIDMCL1BCL2L1BAK1MAPT
SCHEMBL3831276 0.85 KDM4E (0.41) MAPTMEN1LMNAKMT2AHSD17B10
SCHEMBL1002853 0.84 MAPT (0.53) BIDMCL1BCL2L1BAK1MAPT
SCHEMBL3622854 0.84 PARP1 (0.47) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL10796965 0.84 BID (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3824069 0.83 KDM4E (0.40) BIDMCL1BCL2L1BAK1MAPT

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 4 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 disclosed
EP-0929525-A2 NOVEL HETEROARYLOXYETHYLAMINES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP disclosed
CN-1182416-A Benzamides for neurodegenerative disorder treatment CENTAUR PHARMACUETICALS INC (US) 1998-05-20 CN disclosed
WO-1998013349-A2 HETEROARYLOXYETHYLAMINES AS 5-HT1A LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO disclosed