SCHEMBL9828428

SCHEMBL9828428

NCc1cc(-c2ccccc2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.59
ALOX5 P09917 1/20 0.57
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
HSP90AA1 P07900 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ESR2 Q92731 1/20 0.52
ACMSD Q8TDX5 3/20 0.48
HNF4A P41235 2/20 0.48

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
SCHEMBL3924845 0.84 ALOX5 (0.57) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL50409 0.83 BACE1 (0.62) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL9716759 0.82 BACE1 (0.61) BACE1ALOX5CYP1A2ALDH1A1LMNA
Ethane SCHEMBL27845038 0.80 APP (0.56) ALOX5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL1023129 0.80 HSD17B1 (0.66) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL28053825 0.79 ALOX5 (0.83) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL29738649 0.78 MEN1 (0.62) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL8188895 0.78 DPP4 (0.48) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL8992573 0.78 MEN1 (0.62) BACE1ALOX5CYP1A2ALDH1A1LMNA
SCHEMBL3804563 0.78 TAAR1 (0.50) BACE1ALOX5CYP1A2ALDH1A1LMNA

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
WO-2013021309-A1 INTERMEDIATE AND PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE PFIZER LIMITED (GB) 2013-02-14 WO disclosed
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed