SCHEMBL6556669

SCHEMBL6556669

CC(C)Sc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.56
HSD17B10 Q99714 1/20 0.55
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE7B Q9NP56 1/20 0.54
LMNA P02545 4/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.49
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
ALPG P10696 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4456355 0.81 PDE7A (0.45) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL4456352 0.81 PDE7A (0.45) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL5878921 0.81 PDE7A (0.61) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL27581742 0.80 PDE7A (0.75) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL2917511 0.80 ALDH1A1 (0.49) PDE7AHSD17B10LMNAALDH1A1KMT2A
SCHEMBL6556637 0.80 ALDH1A1 (0.49) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL2855080 0.78 ERN1 (0.53) PDE7AALDH1A1KMT2ATXNRD1TXNRD3
SCHEMBL4456357 0.77 PDE7A (0.44) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL6815838 0.77 PDE7A (0.56) PDE7AHSD17B10PDE4BPDE4DPDE7B
SCHEMBL11433378 0.76 PDE7A (0.57) PDE7ALMNAALDH1A1KMT2ATXNRD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976725-B1 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers BAYER CHEMICALS AG (DE) 2004-03-03 EP claimed
US-6077974-A Process for the continuous preparation of amino-halo-genophenyl alkyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US claimed
EP-0976725-A2 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers Bayer Aktiengesellschaft (DE) 2000-02-02 EP claimed
EP-0976725-B1 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers BAYER CHEMICALS AG (DE) 2004-03-03 EP disclosed
US-6077974-A Process for the continuous preparation of amino-halo-genophenyl alkyl thioethers BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed
EP-0976725-A2 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers Bayer Aktiengesellschaft (DE) 2000-02-02 EP disclosed