SCHEMBL11547435

SCHEMBL11547435

O=C(O)c1cn(C2CC2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21063744 0.85 ALDH1A1 (0.36) NOTUMKDM4EALDH1A1KMT2AKDM2B
SCHEMBL21098492 0.81 KDM4E (0.32) KDM4EALDH1A1KMT2ADRD2DRD4
SCHEMBL15536106 0.76 KDM2B (0.38) NOTUMDRD2DRD4DRD3GAA
SCHEMBL28200636 0.69 ALDH1A1 (0.39) NOTUMKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL3463544 0.69 CA12 (0.44) NOTUMKDM4EALDH1A1KMT2AGAA
SCHEMBL4773772 0.69 ALDH1A1 (0.39) NOTUMKDM4EALDH1A1KMT2AALOX15
SCHEMBL24036232 0.69 HCAR3 (0.41) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL10208596 0.67 KDM4E (0.48) NOTUMKDM4EALDH1A1KMT2ATOP2A
SCHEMBL8638685 0.66 KDM4E (0.38) NOTUMKDM4EALDH1A1KMT2AHPGD
SCHEMBL10996179 0.65 KDM4E (0.46) KDM4EALDH1A1KMT2ATOP2ATOP2B

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-0004279-A1 Process for the preparation of 4-pyridone-3-carboxylic acids, 1-cyclopropyl-4-pyridone-3-carboxylic acid derivatives and medicines containing them BAYER AG (DE) 1979-10-03 EP disclosed