SCHEMBL6956445

SCHEMBL6956445

CCCC(C)n1nc(C(=O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 10/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ELANE P08246 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F2 P00734 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL6956867 0.89 KMT2A (0.46) HTR4KMT2AELANEKDM4ECYP3A4
SCHEMBL6956548 0.89 KMT2A (0.46) HTR4KMT2AELANEKDM4ECYP3A4
SCHEMBL6956554 0.89 KMT2A (0.46) HTR4KMT2AELANEKDM4ECYP3A4
SCHEMBL6948875 0.88 HTR4 (0.44) HTR4KMT2AELANEKDM4ECYP3A4
SCHEMBL8874909 0.88 ELANE (0.48) HTR4KMT2AELANEKDM4EF2
SCHEMBL29805676 0.82 HTR4 (0.55) HTR4KMT2AKDM4ECYP3A4HTR2A
SCHEMBL1832626 0.82 HTR4 (0.55) HTR4KMT2AKDM4ECYP3A4HTR2A
SCHEMBL6951757 0.81 KMT2A (0.43) HTR4KMT2AELANEKDM4ECYP3A4
Hydrochloric Acid SCHEMBL1405875 0.81 HTR4 (0.54) HTR4KMT2AHTR2A
SCHEMBL15174608 0.78 KMT2A (0.47) HTR4KMT2AELANEKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 — — EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 — — US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 — — US disclosed
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 — — EP disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 — — 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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