SCHEMBL3728876

SCHEMBL3728876

CCOP(=S)(OCC)S[C@@H](CCl)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLIN1 O60240 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL122099 1.00 PLIN1 (0.41) PLIN1ALDH1A1MAPTHPGDALOX15
SCHEMBL29424499 1.00 PLIN1 (0.41) PLIN1ALDH1A1MAPTHPGDALOX15
Dimethyl Sulfone SCHEMBL19032723 0.95 ALDH1A1 (0.38) PLIN1ALDH1A1MAPTHPGDALOX15
Phosmet SCHEMBL1070968 0.88 ALDH1A1 (0.63) PLIN1ALDH1A1MAPTHPGDALOX15
SCHEMBL9745780 0.85 ELANE (0.37) TDP1
SCHEMBL11688456 0.82 ALDH1A1 (0.43) PLIN1ALDH1A1MAPTHPGDALOX15
Phosmet SCHEMBL1070798 0.80 ALDH1A1 (0.53) PLIN1ALDH1A1MAPTHPGDALOX15
SCHEMBL8806099 0.79 ALDH1A1 (0.39) PLIN1ALDH1A1MAPTHPGDALOX15
SCHEMBL8806093 0.75 ALDH1A1 (0.37) PLIN1ALDH1A1MAPTHPGDALOX15
SCHEMBL13596981 0.68 ALDH1A1 (0.81) PLIN1ALDH1A1MAPTHPGDALOX15

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
US-20100168030-A1 Methods and compositions for treatment of organophosphate-caused pathology ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2010-07-01 US disclosed
US-4780457-A SYNERGISTIC NITROMETHYLENE DERIVATIVE AND CHLORPYRIFOS DERIVATIVE NIHON TOKUSHI NOYAKU SEIZO K.K. (JP) 1988-10-25 US disclosed
US-4725589-A SYNERGISTIC BLEND OF NITROMETHYLENE AND ORGANOPHOSPHATE ESTER NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-02-16 US disclosed