SCHEMBL8760263

SCHEMBL8760263

COc1ccc(C(C)NNC(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.60
GAA P10253 4/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
ACP3 P15309 2/20 0.52
CYP3A4 P08684 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL8760655 1.00 PTGS2 (0.60) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7456994 0.94 ALDH1A1 (0.60) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL8760534 0.94 ALDH1A1 (0.60) PTGS2GAAALDH1A1SMN1; SMN2KDM4E
Benmoxin SCHEMBL8759658 0.86 GPR139 (0.55) PTGS2ALDH1A1SMN1; SMN2KDM4ENPC1
Benmoxin SCHEMBL54431 0.86 GPR139 (0.55) PTGS2ALDH1A1SMN1; SMN2KDM4ENPC1
Benmoxin SCHEMBL8760295 0.86 GPR139 (0.55) PTGS2ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2641131 0.85 SMN1; SMN2 (0.68) PTGS2GAAALDH1A1SMN1; SMN2NPC1
SCHEMBL5683032 0.85 SMN1; SMN2 (0.68) PTGS2GAAALDH1A1SMN1; SMN2NPC1
SCHEMBL2654331 0.83 NR1H4 (0.54) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8759672 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631571-B1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES DU PONT (US) 1997-06-04 EP claimed
EP-0631571-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. DU PONT (US) 1995-01-04 EP claimed
WO-1993019040-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO claimed
EP-0631571-B1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES DU PONT (US) 1997-06-04 EP disclosed
US-5543571-A Preparation of optically active hydrazines and amines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-06 US disclosed
US-5426223-A Hydrogenation of n-acyl hydrazones in presence of catalyst comprising complex pf transition metal bonded to phosphine ligands E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-20 US disclosed
EP-0631571-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. DU PONT (US) 1995-01-04 EP disclosed
US-5250731-A Asymmetric hydrogenation of N-acylhydrazones to N-acylhydrazines in presence of chiral phospholane complex E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-05 US disclosed
WO-1993019040-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO disclosed