SCHEMBL8897962

SCHEMBL8897962

COc1cc(CC(=N)CO)c[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
IDO1 P14902 2/20 0.32
CALM1 P0DP23 1/20 0.31
CCR9 P51686 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MAOB P27338 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL8897728 0.85 PRSS1 (0.32)
SCHEMBL8895892 0.84 GPR84 (0.31) GPR84
SCHEMBL8896501 0.84 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897090 0.82 CA12 (0.32) GPR84CA1CA2
SCHEMBL8898772 0.76 HTR3E (0.32)
SCHEMBL8895792 0.76 GPR84 (0.35) GPR84
SCHEMBL8898150 0.75
SCHEMBL8898000 0.69 IDH1 (0.31)
SCHEMBL8897467 0.69 PRSS1 (0.33) IDO1CA1CA2MMP1MMP2
SCHEMBL21409311 0.68 POLB (0.45) GPR84CA1CA2MMP13

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-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed