SCHEMBL9639787

SCHEMBL9639787

O=[N+]([O-])c1cc(Cl)ccc1SP(=O)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 14/20 0.56
PDE7B Q9NP56 5/20 0.56
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
VCAM1 P19320 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL9639830 0.82 TSHR (0.53) PDE7APDE7BTSHRMEN1KMT2A
SCHEMBL6516022 0.80 PDE7A (0.65) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL11603010 0.79 PDE7A (0.63) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL8669659 0.77 PDE7A (0.61) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL27875198 0.77 PDE7A (0.61) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL21444960 0.73 PDE7A (0.60) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL6556635 0.73 PDE7A (0.57) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL6102170 0.72 TP53 (0.42) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL8884363 0.72 PDE7A (1.00) PDE7APDE7BPDE4BPDE4DPOLB
SCHEMBL1524058 0.72 MAPK1 (0.72) PDE7APDE7BPDE4BPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081272-A PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
US-4056581-A Process for the preparation of phosphorodichloridothiolates ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed