SCHEMBL9511210

SCHEMBL9511210

COCc1cc2c(cc1Cl)Oc1cc(Cl)cc(Cl)c1S2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.35

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
SCHEMBL25085954 0.67 PRKCE (0.41)
SCHEMBL9508991 0.66 NOX1 (0.39)
SCHEMBL9510063 0.65 AHR (0.36) AHR
SCHEMBL1989192 0.63 IDO1 (0.64)
SCHEMBL9508070 0.62 AHR (0.40) AHR
SCHEMBL9511385 0.61 AHR (0.60) AHR
SCHEMBL9698315 0.60 PRKCE (0.31)
SCHEMBL5859225 0.60 GAA (0.44) AHR
SCHEMBL2095745 0.60 ALDH1A1 (0.39) AHR
SCHEMBL8954798 0.59 CD44 (0.38)

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