SCHEMBL11601773

SCHEMBL11601773

[O-][n+]1nc(OCC(Cl)(Cl)Cl)nc2ccc(Cl)cc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAT2A P31153 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
SCHEMBL11601709 0.83 TSHR (0.41) TDP1MAT2A
SCHEMBL11603229 0.82 RAB9A (0.33) RAB9ATDP1MAT2A
SCHEMBL11602156 0.81 DHODH (0.38) MAT2A
SCHEMBL11602976 0.80 HPGD (0.38) RAB9ATDP1
SCHEMBL11601383 0.80 PDGFRB (0.38) RAB9ATDP1MAT2A
SCHEMBL11602714 0.78 MAT2A (0.46) RAB9AMAT2A
SCHEMBL11665663 0.77 KCNA3 (0.42) RAB9AMAT2A
SCHEMBL11603107 0.74 GABRP (0.37) MAT2A
SCHEMBL782083 0.74 ALDH1A1 (0.37) TDP1
SCHEMBL11601650 0.74 PIK3CG (0.47) RAB9ATDP1MAT2A

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-4067981-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed