SCHEMBL904520

SCHEMBL904520

CC(C(=O)OC(C)(C)c1ccc(N=Nc2ccccc2)cc1)C(C)(C)O[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PPARA Q07869 6/20 0.36
MAPK1 P28482 2/20 0.35
TRPA1 O75762 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 3/20 0.34
HPGD P15428 1/20 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
SCHEMBL1455251 0.78 ALDH1A1 (0.41) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1455249 0.78 ALDH1A1 (0.41) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL113257 0.73 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL155459 0.73 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3293153 0.73 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3293150 0.73 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11630171 0.70 ESR1 (0.35) KMT2AALDH1A1L3MBTL1LMNAHPGD
SCHEMBL766244 0.69 LMNA (0.33) KMT2ALMNA
SCHEMBL14661199 0.68 PPARA (0.36) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL25968943 0.67 ALDH1A1 (0.50) MAPTKMT2AALDH1A1L3MBTL1MAPK1

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
WO-2012006551-A2 NEUROPROTECTIVE MOLECULES AND METHODS OF TREATING NEUROLOGICAL DISORDERS AND INDUCING STRESS GRANULES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-01-12 WO disclosed