SCHEMBL22476599

SCHEMBL22476599

COC(=O)c1nc(C)ncc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ATM Q13315 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NTRK1 P04629 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
S1PR4 O95977 1/20 0.35
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL31500546 0.81 NPSR1 (0.47) NPSR1ATMKDM4EMAPK1L3MBTL1
SCHEMBL26287659 0.81 NPSR1 (0.47) NPSR1ATMKDM4EMAPK1L3MBTL1
SCHEMBL7452572 0.81 NPSR1 (0.47) NPSR1ATMKDM4EMAPK1L3MBTL1
SCHEMBL4865908 0.81 NPSR1 (0.47) NPSR1ATMKDM4EMAPK1L3MBTL1
SCHEMBL16095221 0.81 NPSR1 (0.47) NPSR1ATMKDM4EMAPK1L3MBTL1
SCHEMBL22476515 0.80 LMNA (0.34) NPSR1ATMNTRK1
SCHEMBL6169765 0.79 KMT2A (0.49) NPSR1KDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL12858036 0.78 MEN1 (0.38) MAPK1ALDH1A1SMN1; SMN2TDP1NTRK1
SCHEMBL9423303 0.78 GAA (0.46) NPSR1ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL15006470 0.76 DPP4 (0.39) KDM4EALDH1A1TDP1NTRK1PKM

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-3487848-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-09-30 EP disclosed