SCHEMBL9797202

SCHEMBL9797202

COc1ccc2[nH]c(C)c(CNC(=O)N(C)O)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MAPT P10636 7/20 0.37
POLB P06746 2/20 0.36
PTAFR P25105 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL8671570 0.81 POLB (0.40) MAPTPOLBGAAMTNR1AMTNR1B
SCHEMBL5154300 0.81 POLB (0.38) MAPTPOLBMEN1KMT2AGAA
SCHEMBL5806535 0.80 POLB (0.41) MAPTPOLBGAAMTNR1AMTNR1B
SCHEMBL998208 0.80 AKR1C2 (0.46) ALOX5MAPTPOLBMEN1KMT2A
SCHEMBL5154201 0.80 POLB (0.41) MAPTPOLBMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL5805761 0.79 KRAS (0.43) MAPTPOLBGAAMTNR1AMTNR1B
SCHEMBL5809614 0.78 MEN1 (0.40) MAPTPOLBMEN1KMT2AMTNR1A
SCHEMBL8889810 0.78 POLB (0.39) MAPTPOLBGAAMTNR1AMTNR1B
SCHEMBL8644241 0.77 POLB (0.40) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL5805773 0.77 PTGS2 (0.47) MAPTPOLBMEN1KMT2AMTNR1A

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-0374602-A1 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1990-06-27 EP claimed
US-5068251-A Nonsteroidal antiinflammatory agents, hydroxyurea derivatives ABBOTT LABORATORIES (US) 1991-11-26 US disclosed
EP-0374602-A1 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1990-06-27 EP disclosed