SCHEMBL6444273

SCHEMBL6444273

CN(C)CCOc1cccc2cc(C(=O)O)oc12.Nc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
HRH1 P35367 1/20 0.43
CSF1R P07333 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 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
SCHEMBL5559604 0.93 LMNA (0.49) HTR1BKMT2ASMN1; SMN2MEN1NPC1
Anthranilamide SCHEMBL6444259 0.92 CYP1A2 (0.47) HTR1BKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL5559227 0.87 HTR1B (0.50) HTR1BKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6444267 0.84 RAB9A (0.47) HTR1BKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6280297 0.81 KMT2A (0.68) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5565039 0.81 LMNA (0.46) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL6982551 0.80 MAPK1 (0.49) HTR1BKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL5565438 0.78 LMNA (0.55) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5558971 0.78 LMNA (0.50) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2649753 0.77 KMT2A (0.59) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed