SCHEMBL11328261

SCHEMBL11328261

COc1ccc2cc(C(C)=NOCCN3CCCC3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 7/20 0.50
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FLT3 P36888 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11324542 0.99 KDM2B (0.49) KDM2BPSMB1PSMB5HRH3NPSR1
SCHEMBL12846835 0.79 PPARG (0.49) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL9517709 0.79 POLB (0.53) PSMB1PSMB5HRH3MEN1ALDH1A1
SCHEMBL11310194 0.77 MEN1 (0.46) FLT3MEN1ALDH1A1LMNAMAPT
SCHEMBL11242913 0.77 PSMB1 (0.48) PSMB1PSMB5HRH3MEN1ALDH1A1
SCHEMBL11241760 0.76 PSMB1 (0.50) PSMB1PSMB5HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL11232363 0.76 ALDH1A1 (0.47) PSMB1PSMB5HRH3ALDH1A1
SCHEMBL11319041 0.75 MEN1 (0.45) MEN1ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL11249166 0.74 PSMB1 (0.49) PSMB1PSMB5HRH3ALDH1A1
SCHEMBL10851657 0.73 ALDH1A1 (0.76) HRH3MEN1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267334-A USEFUL AS ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS PRODUCTOS ESTEVE INTERNACIONAL S.A. (ES) 1981-05-12 US claimed