SCHEMBL23779147

SCHEMBL23779147

O=C(O)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
TET3 O43151 3/20 0.69
FBXL19 Q6PCT2 3/20 0.69
CXXC5 Q7LFL8 3/20 0.69
KDM2B Q8NHM5 3/20 0.69
CXXC4 Q9H2H0 3/20 0.69
KDM2A Q9Y2K7 3/20 0.69
TET1 Q8NFU7 2/20 0.69
AKR1C1 Q04828 1/20 0.63
HSD11B1 P28845 3/20 0.54
CYP2C19 P33261 2/20 0.52
MEN1 O00255 3/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 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
SCHEMBL2636624 0.86 CA12 (0.59) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL5172596 0.86 KMT2A (0.53) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL27381366 0.86 KMT2A (0.65) KMT2ATET3FBXL19CXXC5KDM2B
Hydrochloric Acid SCHEMBL8635061 0.84 KMT2A (0.63) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3790649 0.84 KMT2A (0.51) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3931269 0.84 KMT2A (0.71) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3441871 0.82 ALDH1A1 (0.54) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL6391 0.82 AKR1C1 (0.83) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL31016196 0.82 AKR1C1 (0.83) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL1309812 0.82 SLC18A3 (0.60) KMT2ATET3FBXL19CXXC5KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873600-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2021-09-08 EP disclosed
CN-101128435-A Pyrazolone compounds as metabotropic glutamate receptor agonists for the treatment of neurological and psychiatric disorders ASTRAZENECA AB (SE) 2008-02-20 CN disclosed