SCHEMBL9846702

SCHEMBL9846702

CC1(C)N=C(Cl)c2cc(Cl)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.36
IDO1 P14902 5/20 0.36
MAPK1 P28482 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
ABCC9 O60706 1/20 0.33
PPOX P50336 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
S100A4 P26447 1/20 0.31

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
SCHEMBL9377301 0.83 AHR (0.34) AHRCTSDBACE1PGRAR
SCHEMBL9372695 0.80 PPIB (0.42) IDO1CTSDBACE1
SCHEMBL9372439 0.79 ABCC9 (0.39) BACE1ABCC9
SCHEMBL9846796 0.78 AHR (0.33) AHRIDO1MAPK1PPOX
SCHEMBL1711531 0.78 ALDH1A1 (0.37) IDO1MAPK1BACE1
SCHEMBL13172449 0.73 BACE1 (0.42) CTSDBACE1
SCHEMBL31619249 0.72 PTGES (0.39) AHRCTSDBACE1
SCHEMBL9372171 0.71 F10 (0.35) CTSDBACE1ABCC9
SCHEMBL9376811 0.71 PTGS2 (0.34) MAPK1BACE1
SCHEMBL9846715 0.70 CTSD (0.36) CTSDBACE1

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-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed