SCHEMBL9510059

SCHEMBL9510059

Cc1c(Cl)cc2c(c1Cl)Oc1c(cc(Cl)c(C)c1Cl)S2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 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
SCHEMBL9507725 0.83 AHR (0.32) AHR
SCHEMBL9508070 0.68 AHR (0.40) AHR
SCHEMBL9511407 0.68
SCHEMBL6308926 0.67 AHR (0.42) AHR
SCHEMBL28035980 0.66 CYP3A4 (0.47) AHR
SCHEMBL9508164 0.63 AHR (0.50) AHR
SCHEMBL9508103 0.62 CD44 (0.46)
SCHEMBL11595271 0.62 CD44 (0.35) AHR
SCHEMBL9507665 0.62 CD44 (0.46)
SCHEMBL14050348 0.62 RAPGEF4 (0.33)

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