SCHEMBL6956554

SCHEMBL6956554

CCC(C)n1nc(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ HTR4 Q13639 10/20 0.44
▸ HCAR3 P49019 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ELANE P08246 4/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTR2A P28223 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
SCHEMBL6956867 1.00 KMT2A (0.46) KMT2AHTR4HCAR3KDM4ECYP1A2
SCHEMBL6956548 1.00 KMT2A (0.46) KMT2AHTR4HCAR3KDM4ECYP1A2
SCHEMBL6956445 0.89 HTR4 (0.45) KMT2AHTR4KDM4ECYP1A2CYP3A4
SCHEMBL6956828 0.87 HTR4 (0.43) KMT2AHTR4KDM4EELANEF2
SCHEMBL6956835 0.87 HTR4 (0.43) KMT2AHTR4KDM4EELANEF2
SCHEMBL6950067 0.87 HTR4 (0.43) KMT2AHTR4KDM4EELANEF2
SCHEMBL8875819 0.87 ELANE (0.50) KMT2AHTR4KDM4EELANE
SCHEMBL6951757 0.87 KMT2A (0.43) KMT2AHTR4HCAR3KDM4ECYP1A2
SCHEMBL29805676 0.84 HTR4 (0.55) KMT2AHTR4KDM4ECYP3A4HTR2A
SCHEMBL1832626 0.84 HTR4 (0.55) KMT2AHTR4KDM4ECYP3A4HTR2A

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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