SCHEMBL30875692

SCHEMBL30875692

O=C(O)N1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
AKR1C3 P42330 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 2/20 0.52
CPT2 P23786 1/20 0.52
CPT1A P50416 1/20 0.52
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
ADRA2A P08913 1/20 0.47
PNMT P11086 1/20 0.47
PDE4B Q07343 2/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL396861 1.00 HPGD (0.56) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL17797648 0.91 HPGD (0.51) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL1393124 0.88 DPP7 (0.56) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL30561538 0.87 NOTUM (0.56) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL3895337 0.87 NOTUM (0.56) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL6399577 0.84 CPT2 (0.52) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL15975164 0.83 KMT2A (0.52) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL22145710 0.83 DPP7 (0.54) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL29805828 0.83 ESR1 (0.65) HPGDAKR1C3MEN1KMT2ARAB9A
SCHEMBL15686736 0.83 MEN1 (0.52) HPGDAKR1C3MEN1KMT2ARAB9A

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
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed