SCHEMBL4183717

SCHEMBL4183717

O=C(Br)SSc1ccccc1.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
MAPT P10636 4/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MGLL Q99685 1/20 0.48
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PLIN1 O60240 1/20 0.38
HTT P42858 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.35
ALOX15 P16050 2/20 0.34
CES1 P23141 2/20 0.34

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
SCHEMBL3766616 0.78 HPGD (0.55) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL11874395 0.76 HPGD (0.52) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL200594 0.74 HPGD (0.50) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL28144870 0.74 MAPT (0.50) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL11621561 0.73 HPGD (0.48) HPGDMAPTHSD17B10SMN1; SMN2MGLL
Urea SCHEMBL27863158 0.70 HPGD (0.67) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL775894 0.70 HPGD (0.50) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL31543780 0.70 HPGD (0.44) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL11615005 0.70 HSD17B10 (0.50) HPGDMAPTHSD17B10SMN1; SMN2MGLL
Carbamic Acid SCHEMBL27979510 0.69 HPGD (0.63) HPGDMAPTHSD17B10SMN1; SMN2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009269835-A METHOD FOR PRODUCING 2-CYANOPROP-2-YLDITHIOBENZOATE AND POLYMERIZATION METHOD USING THE SAME MITSUBISHI RAYON CO LTD 2009-11-19 JP disclosed