SCHEMBL7792041

SCHEMBL7792041

COc1ccc2c(c1)C(=O)c1cccc(OC(C)C3CCCCN3)c1-2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7792122 0.97 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795698 0.91 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786163 0.91 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7794957 0.90 MEN1 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795720 0.89 TTR (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7792062 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7794873 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795757 0.88 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786028 0.88 KMT2A (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786401 0.88 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed