SCHEMBL7982599

SCHEMBL7982599

CC(NC(=O)CCn1cnc2c(=O)[nH]c(N)nc21)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.52
HPRT1 P00492 9/20 0.50
PNP P00491 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
VCP P55072 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL7980534 0.99 TK1 (0.51) TK1HPRT1PNPMEN1KMT2A
SCHEMBL7396261 0.85 HPRT1 (0.48) HPRT1PNP
SCHEMBL7403481 0.84 HPRT1 (0.47) HPRT1PNP
SCHEMBL7575081 0.83 TK1 (0.55) TK1HPRT1PNPMEN1KMT2A
SCHEMBL7570457 0.80 TK1 (0.56) TK1HPRT1PNPMEN1KMT2A
SCHEMBL7567095 0.79 TK1 (0.60) TK1HPRT1PNPBLM
SCHEMBL7570922 0.78 TK1 (0.54) TK1HPRT1PNPMEN1KMT2A
SCHEMBL7571683 0.77 TK1 (0.48) TK1HPRT1PNPMEN1KMT2A
SCHEMBL7982329 0.76 TK1 (0.57) TK1HPRT1PNPBLM
SCHEMBL7575116 0.76 TK1 (0.59) TK1HPRT1PNPBLM

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
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed