SCHEMBL7164155

SCHEMBL7164155

CCOc1noc(-c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8522264 0.92
SCHEMBL7163171 0.85
SCHEMBL7160155 0.77 ALDH1A1 (0.45) KDM4EMAPTHTTTSHRALDH1A1
SCHEMBL7374814 0.72 TP53 (0.43) TP53RXFP1HSD17B10KDM4EMAPT
SCHEMBL3848312 0.68 CYP11B1 (0.38) TSHRL3MBTL1MEN1KMT2A
SCHEMBL8386864 0.67 CYP11B1 (0.31) L3MBTL1
SCHEMBL26326405 0.66 CYP11B1 (0.33) TP53MAPT
SCHEMBL1562700 0.66 MAPT (0.45) TP53HSD17B10KDM4EMAPTTSHR
SCHEMBL8387437 0.66 CYP11B1 (0.39) TP53MAPTHTTTSHRL3MBTL1
SCHEMBL23532128 0.65 CYP11B1 (0.36) TP53TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934286-B1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS LUNDBECK & CO AS H (DK) 2003-01-08 EP disclosed
US-6200999-B1 ALZHEIMER*S, HUNTINGTON*S, AND PARKINSON*S DISEASE; ANTIEPILEPTIC, ANALGESIC, ANXIOLYTIC, ANTIISCHEMIC AND ANTIDEPRESSANT AGENTS; NMDA AND AMPA RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2001-03-13 US disclosed
EP-0934286-A1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1999-08-11 EP disclosed
WO-1998015542-A1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1998-04-16 WO disclosed