SCHEMBL7366868

SCHEMBL7366868

CC(=O)Nc1cc(Cl)cn(C2=CC(C)(C)Oc3ncccc32)c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.36
THRB P10828 2/20 0.33
FGFR1 P11362 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL7373402 0.89 S100A4 (0.32) S100A4MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7376611 0.85 ALDH1A1 (0.38) S100A4FGFR1ALDH1A1CDK8
SCHEMBL7372821 0.85 S100A4 (0.36) S100A4MAPTMEN1KMT2ARXFP1
SCHEMBL7299347 0.84 MEN1 (0.37) S100A4FGFR1KDM4EHSD17B10ALDH1A1
SCHEMBL7298334 0.84 TNKS (0.33) MAPTLMNA
SCHEMBL7301120 0.82 NR4A2 (0.31) MAPTLMNA
SCHEMBL7377531 0.81 POLB (0.38) S100A4MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7374768 0.81 CHUK (0.37) CDK8
SCHEMBL7370169 0.81 CHUK (0.37) FGFR1KDM4EHSD17B10CDK8
SCHEMBL7300227 0.79 MEN1 (0.37) S100A4MAPTKDM4EHSD17B10ALDH1A1

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-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