SCHEMBL9282985

SCHEMBL9282985

O=[N+]([O-])c1cccc2c1Cc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 4/20 0.40
ACHE P22303 1/20 0.40
GPR35 Q9HC97 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL17819557 0.81 ACHE (0.35) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL28456950 0.78 TDP1 (0.47) MAPTKMT2AMEN1TDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL27809956 0.77 TDP1 (0.50) MAPTKMT2AMEN1TDP1ALDH1A1
Bromide SCHEMBL7268760 0.77 TDP1 (0.50) MAPTKMT2AMEN1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL5470775 0.75 TDP1 (0.48) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1306345 0.75 MAPT (0.49) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL10568297 0.74 ALDH1A1 (0.45) MAOBMAPTKMT2ATDP1ALDH1A1
SCHEMBL19389322 0.74 MEN1 (0.56) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL9484984 0.74 MAPT (0.63) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL3690493 0.74 MAOA (0.59) MAOAMAOBLMNASMN1; SMN2MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448914-A Xanthone derivative, preparation method thereof and nitrile benzoxazine derivative containing xanthone structure 电子科技大学 2022-12-09 CN disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
US-4268514-A ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed