SCHEMBL20195545

SCHEMBL20195545

COc1cccc(N(C)N)c1COc1nncnc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
DHFR P00374 1/20 0.31
IDO1 P14902 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
SCHEMBL20195505 0.73 ADRA2A (0.33)
SCHEMBL20195515 0.72 NPC1 (0.38) DHFR
SCHEMBL20195406 0.72 MAPT (0.40)
SCHEMBL22037259 0.71 HTR7 (0.47) AOC3DHFR
SCHEMBL18831563 0.71 ATP4A (0.36) IDO1
SCHEMBL22037503 0.70 SLC22A12 (0.36)
SCHEMBL21317959 0.70 MAPT (0.42)
SCHEMBL20686676 0.70 MRGPRX4 (0.44)
SCHEMBL20195476 0.70 ALDH1A1 (0.32) AOC3DHFR
SCHEMBL18831442 0.70 KCNB1 (0.34) IDO1

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed