SCHEMBL20118919

SCHEMBL20118919

Nc1c(Cl)cc(C(=O)O)c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
KDM4E B2RXH2 7/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4A O75164 2/20 0.49
EGLN1 Q9GZT9 2/20 0.49
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
TET3 O43151 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
TET1 Q8NFU7 1/20 0.49
FTO Q9C0B1 1/20 0.49

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
SCHEMBL3387174 0.84 KDM4E (0.51) HAVCR2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL7376619 0.78 HTR3E (0.47) HAVCR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL28507152 0.78 KDM4E (0.59) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL16097617 0.77 KDM4E (0.51) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL4061248 0.77 KDM4E (0.66) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL20424050 0.76 KDM4E (0.49) HAVCR2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL18094599 0.74 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16123477 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20118844 0.74 MMP14 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3899127 0.74 KDM4E (0.68) HAVCR2KDM4EL3MBTL1KDM4AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976337-B1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-05-02 EP disclosed