SCHEMBL8060951

SCHEMBL8060951

CC(N)([O])c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
SSTR4 P31391 4/20 0.45
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PTK2B Q14289 1/20 0.42
AAK1 Q2M2I8 3/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
FERMT2 Q96AC1 1/20 0.39
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL264501 0.85 NCF1 (0.52) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL7356796 0.85 NCF1 (0.47) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL16252851 0.85 NCF1 (0.52) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL803131 0.81 NCF1 (0.50) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL11904335 0.78 NCF1 (0.47) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL26294685 0.78 NCF1 (0.47) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL19053405 0.76 LOXL2 (0.47) NCF1LOXL2SSTR4MAPTNPC1
Hydrochloric Acid SCHEMBL7348696 0.76 NCF1 (0.46) NCF1LOXL2SSTR4MAPTNPC1
SCHEMBL14692676 0.76 LOXL2 (0.44) NCF1LOXL2SSTR4AAK1HTR1A
SCHEMBL29393436 0.75 NCF1 (0.44) NCF1LOXL2SSTR4MAPTNPC1

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
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed