SCHEMBL11514976

SCHEMBL11514976

CCOc1ccc2c(c1)C(C)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ESR2 Q92731 1/20 0.44
BRD4 O60885 3/20 0.44
CCL2 P13500 3/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL15730582 0.82 MAOA (0.51) PGRMAOBMAOABRD4ALDH1A1
SCHEMBL29952126 0.81 MAOB (0.43) MAOBMAOAMAPTHSD17B10ESR2
SCHEMBL7354864 0.81 MAPT (0.48) PGRMAOBMAOAMAPTHSD17B10
SCHEMBL10828187 0.80 ALDH1A1 (0.44) MAOBMAOAMAPTHSD17B10ESR2
SCHEMBL7467669 0.79 BRD4 (0.48) MAOBMAPTHSD17B10ESR2BRD4
SCHEMBL10696421 0.77 MAOA (0.50) PGRMAOBMAOAMAPTLMNA
SCHEMBL12727796 0.76 PGR (0.50) PGRMAPTHSD17B10BRD4ALDH1A1
SCHEMBL7462897 0.76 MAPT (0.54) PGRMAOBMAPTHSD17B10ESR2
SCHEMBL24112730 0.73 PGR (0.54) PGRHSD17B10BRD4ALDH1A1KDM4E
SCHEMBL9651557 0.73 PGR (0.54) PGRHSD17B10BRD4ALDH1A1KDM4E

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
US-RE29882-E SALT FORMATION, REARRANGEMENT, DESULFURIZATION OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1979-01-16 US disclosed
US-4056569-A Ortho-[(alkylthio)(aminocarbonyl)methyl]anilines THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1977-11-01 US disclosed
US-3996264-A Synthesis of oxindoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-12-07 US disclosed
US-3972894-A Synthesis of oxindoles from anilines and β-thio carboxylic esters or amides THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-08-03 US disclosed