SCHEMBL10654401

SCHEMBL10654401

Cc1c(Cl)cc(Cl)c2c1Sc1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.45
ATM Q13315 1/20 0.33

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
SCHEMBL10654425 0.89 AHR (0.37) AHRATM
SCHEMBL11125999 0.83 AHR (0.33) AHR
SCHEMBL26292423 0.78 ATM (0.36) AHRATM
SCHEMBL9511418 0.78 AHR (0.33) AHR
SCHEMBL28473666 0.76 AHR (0.42) AHRATM
SCHEMBL11121111 0.73 AHR (0.37) AHR
SCHEMBL9508587 0.73
SCHEMBL11133003 0.72 AHR (0.33) AHR
SCHEMBL9508965 0.72 AHR (0.36) AHR
SCHEMBL11981461 0.71 ATM (0.36) AHRATM

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-0173222-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF TOLUENE HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-09 EP disclosed
US-4647709-A Process for ring-chlorinating toluene HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
EP-0173222-A1 Process for the nuclear chlorination of toluene HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-05 EP disclosed