SCHEMBL4667658

SCHEMBL4667658

CCN(C(=O)CNC)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GLA P06280 1/20 0.61
TSHR P16473 1/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7509240 0.86 TP53 (0.60) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL5383826 0.84 ALDH1A1 (0.46) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL10535687 0.84 ALDH1A1 (0.59) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL308738 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7746733 0.81 ALDH1A1 (0.43) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL4354509 0.81 SMN1; SMN2 (0.55) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2030599 0.81 ALDH1A1 (0.70) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL14817542 0.81 ALDH1A1 (0.59) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2754131 0.80 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7498798 0.80 TSHR (0.48) ALDH1A1GLATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed