SCHEMBL2866545

SCHEMBL2866545

COc1ccc(NF)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
RAB9A P51151 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
FFAR4 Q5NUL3 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL2204875 0.81 GAA (0.59) GAARAB9AADRA2AADRA2CADRA1D
SCHEMBL4791618 0.79 GAA (0.58) GAARAB9AADRA2AADRA2CADRA1D
SCHEMBL11407076 0.79 GAA (0.58) GAARAB9AADRA2AADRA2CADRA1D
SCHEMBL1707344 0.79 ALDH1A1 (0.59) GAARAB9ACA12CA1CA2
SCHEMBL11821170 0.79 GAA (0.58) GAARAB9AADRA2AADRA2CADRA1D
SCHEMBL27677395 0.79 MEN1 (0.45) GAACA12CA1CA2CA9
SCHEMBL28711200 0.78 ALDH1A1 (0.52) GAARAB9ACA12CA1CA2
Hydrochloric Acid SCHEMBL31451442 0.78 GAA (0.56) GAARAB9AADRA2AADRA2CADRA1D
Hydrochloric Acid SCHEMBL6232272 0.78 GAA (0.56) GAARAB9AADRA2AADRA2CADRA1D
SCHEMBL11108209 0.78 GAA (0.56) GAARAB9AADRA2AADRA2CADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed