SCHEMBL14224428

SCHEMBL14224428

O=C(NO)NCCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
RAB9A P51151 4/20 0.56
HSD11B1 P28845 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.53
NPC1 O15118 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL26333814 0.85 CNR1 (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL18317152 0.85 CNR1 (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL18318228 0.85 CNR1 (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL13853783 0.85 CNR1 (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL18317328 0.85 CNR1 (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL11701162 0.84 CNR1 (0.64) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL27263888 0.83 RAB9A (0.58) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL1694984 0.83 RAB9A (0.62) CNR1TAS1R3TAS1R1RAB9AHSD11B1
SCHEMBL7844957 0.83 CNR1 (0.80) CNR1TAS1R3TAS1R1RAB9ACA12
Hydrochloric Acid SCHEMBL7603529 0.81 RAB9A (0.61) CNR1TAS1R3TAS1R1RAB9AHSD11B1

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed