SCHEMBL9502703

SCHEMBL9502703

CC(Cl)COc1ccc(S)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SCN4A P35499 4/20 0.37
PTGS1 P23219 2/20 0.36
MAOA P21397 1/20 0.36
NQO1 P15559 1/20 0.36
CYP2C9 P11712 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 1/20 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
SCHEMBL7528014 0.83 MAPT (0.47) LMNACYP2C9POLBMAPTNPSR1
SCHEMBL9123017 0.81 USP2 (0.47) LMNACYP2C9MAPTNPSR1TSHR
SCHEMBL23474864 0.79 MAPT (0.51) LMNAMAPTTSHRMAPK1
SCHEMBL28430598 0.79 LMNA (0.64) LMNAPTGS1CYP2C9POLBMAPT
SCHEMBL20379107 0.78 LMNA (0.63) LMNASCN4APTGS1MAOACYP2C9
SCHEMBL9123715 0.78 LMNA (0.63) LMNASCN4APTGS1MAOACYP2C9
SCHEMBL9143121 0.78 FFAR1 (0.50) LMNAPTGS1MAOANQO1MAPT
SCHEMBL9143127 0.78 FFAR1 (0.50) LMNAPTGS1MAOANQO1MAPT
SCHEMBL6272310 0.76 LMNA (0.37) LMNAPTGS1MAOAMAPTCYP2D6
SCHEMBL7517540 0.75 NQO1 (0.41) LMNASCN4ANQO1CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544732-A1 IMPROVED PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES WEHRENBERG, Peter K. (US) 1993-06-09 EP disclosed
WO-1992003447-A1 IMPROVED PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES WEHRENBERG PETER K (US) 1992-03-05 WO disclosed
US-5081272-A PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
US-4727178-A Process for preparing phosphorodichloridothiolate STAUFFER CHEMICAL CO. (US) 1988-02-23 US disclosed
US-4056581-A Process for the preparation of phosphorodichloridothiolates ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed