SCHEMBL7983487

SCHEMBL7983487

OCCc1ncc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDE10A Q9Y233 1/20 0.46
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.41
TBXAS1 P24557 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL24090159 0.85 KDM4E (0.50) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL3798563 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL7979421 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL3899982 0.82 PDE10A (0.52) KDM4EALDH1A1MAPTCHEK1LIMK1
Hydrochloric Acid SCHEMBL3795323 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL25243301 0.78 PDE10A (0.46) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL20864246 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL10272042 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL12480176 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL8241371 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTCHEK1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 WO disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed