SCHEMBL7300227

SCHEMBL7300227

CC(=O)Nc1ccc(=O)n(C2=CC(C)(C)Oc3ncccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
AKT1 P31749 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
SCN2A Q99250 1/20 0.35
S100A4 P26447 2/20 0.35
CDK8 P49336 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7376611 0.85 ALDH1A1 (0.38) ALDH1A1AKT1S100A4CDK8
SCHEMBL7377531 0.85 POLB (0.38) MEN1KMT2AALDH1A1POLBAKT1
SCHEMBL7291797 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7292763 0.83 SMN1; SMN2 (0.36) MEN1KMT2APOLBNPC1CDK8
SCHEMBL7300381 0.81 LMNA (0.31) MAPTSMN1; SMN2
SCHEMBL7300635 0.81 TNKS (0.30)
SCHEMBL7299347 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1AKT1S100A4
SCHEMBL7373402 0.79 S100A4 (0.32) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7366868 0.79 S100A4 (0.36) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7299766 0.79 AAK1 (0.38) MEN1KMT2AALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed