SCHEMBL3132028

SCHEMBL3132028

O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B2 P37059 1/20 0.41
RGS4 P49798 1/20 0.40
RGS8 P57771 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL2672856 1.00 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL472396 0.86 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL17717943 0.85 MAPT (0.58) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL17717951 0.83 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL2673155 0.83 EP300 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2672873 0.80 HSD17B2 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2673297 0.78 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL17917603 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL18399897 0.77 GAA (0.59) ALDH1A1MAPTHSD17B10KDM4CMEN1
SCHEMBL17358737 0.77 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10KDM4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778236-B1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INC (US) 2010-07-14 EP disclosed