SCHEMBL9511229

SCHEMBL9511229

CSc1c(Cl)cc2c(c1Cl)Sc1c(cc(Cl)c(SC)c1Cl)O2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHR P35869 8/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL9511341 0.76 AHR (0.50) AHRFLT1
SCHEMBL9510057 0.75
SCHEMBL6308926 0.75 AHR (0.42) AHRFLT1
SCHEMBL9509978 0.70 AHR (0.38) AHRFLT1
SCHEMBL9510018 0.68 CYP3A4 (0.34) AHRFLT1
SCHEMBL9510067 0.68 AHR (0.35) AHRFLT1
SCHEMBL9510158 0.66 AHR (0.37) AHRFLT1
SCHEMBL9507662 0.65 GAA (0.36) AHRFLT1
SCHEMBL9508070 0.64 AHR (0.40) AHRFLT1
SCHEMBL9508936 0.64 AHR (0.35) AHRFLT1

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
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed