SCHEMBL8714243

SCHEMBL8714243

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ HTR4 Q13639 16/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ SLC47A1 Q96FL8 1/20 0.36

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
SCHEMBL8714860 0.88 KMT2A (0.44) KDM4EHTR4KMT2AF2PLAU
SCHEMBL8878734 0.86 ELANE (0.48) KDM4EHTR4KMT2AF2PLAU
SCHEMBL1405874 0.83 HTR4 (0.55) KDM4EHTR4KMT2AKCNH2
SCHEMBL6956835 0.78 HTR4 (0.43) KDM4EHTR4KMT2AF2PLAU
SCHEMBL6950067 0.78 HTR4 (0.43) KDM4EHTR4KMT2AF2PLAU
SCHEMBL6956828 0.78 HTR4 (0.43) KDM4EHTR4KMT2AF2PLAU
SCHEMBL6956165 0.77 HTR4 (0.42) KDM4EHTR4KMT2AF2PLAU
SCHEMBL6956782 0.76 HTR4 (0.41) KDM4EHTR4KMT2AF2PLAU
SCHEMBL6948875 0.76 HTR4 (0.44) KDM4EHTR4KMT2AF2PLAU
SCHEMBL8720506 0.74 KDM4E (0.38) KDM4EF2PLAUELANEHTR3E

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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