SCHEMBL8714860

SCHEMBL8714860

CC#CC(C)n1nc(C(=O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR4 Q13639 14/20 0.41
▸ ELANE P08246 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL8878734 0.88 ELANE (0.48) KMT2AKDM4EHTR4ELANEF2
SCHEMBL8714243 0.88 KDM4E (0.43) KMT2AKDM4EHTR4ELANEF2
SCHEMBL29805676 0.82 HTR4 (0.55) KMT2AKDM4EHTR4CYP3A4HTR2A
SCHEMBL1832626 0.82 HTR4 (0.55) KMT2AKDM4EHTR4CYP3A4HTR2A
Hydrochloric Acid SCHEMBL1405875 0.81 HTR4 (0.54) KMT2AHTR4HTR2A
SCHEMBL15174608 0.78 KMT2A (0.47) KMT2AKDM4EHTR4ELANEF2
SCHEMBL6956867 0.77 KMT2A (0.46) KMT2AKDM4EHTR4ELANEF2
SCHEMBL6956554 0.77 KMT2A (0.46) KMT2AKDM4EHTR4ELANEF2
SCHEMBL22284876 0.77 KMT2A (0.46) KMT2AKDM4EHTR4ELANEF2
SCHEMBL6956548 0.77 KMT2A (0.46) KMT2AKDM4EHTR4ELANEF2

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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 — — EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 — — EP disclosed
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