SCHEMBL9865020

SCHEMBL9865020

CNC(=C[N+](=O)[O-])NC(C)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 5/20 0.41
ADRB1 P08588 5/20 0.41
ADRB3 P13945 5/20 0.41
KCNA5 P22460 2/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2B P29275 3/20 0.38
ADORA2A P29274 1/20 0.38
CHRM4 P08173 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
SCHEMBL8631374 0.79 MAPK1 (0.39) KMT2A
SCHEMBL8631371 0.79 MAPK1 (0.39) KMT2A
SCHEMBL7683120 0.75 KCNA5 (0.42) KCNA5KMT2A
SCHEMBL7669197 0.73 HTT (0.51) NAMPTKMT2A
SCHEMBL7669203 0.73 HTT (0.51) NAMPTKMT2A
SCHEMBL9864447 0.72 ALDH1A1 (0.34) KMT2A
SCHEMBL19322924 0.71 POLB (0.60) NAMPTCYP2C9KDM4EKCNA5ADORA2B
SCHEMBL14277947 0.71 POLB (0.60) NAMPTCYP2C9KDM4EKCNA5ADORA2B
SCHEMBL6222176 0.71 KDM4E (0.58) NAMPTCYP2C9KDM4EKCNA5ADORA2B
SCHEMBL10061711 0.71 POLB (0.60) NAMPTCYP2C9KDM4EKCNA5ADORA2B

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-5023259-A Pesticides, insecticides CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed