SCHEMBL9625484

SCHEMBL9625484

Cc1cccc(Cl)c1.NNC(=S)OCc1ccccc1.NNC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
PTPN7 P35236 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
PLA2G1B P04054 1/20 0.38
MAOB P27338 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 3/20 0.37

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
SCHEMBL8986629 0.82 CA12 (0.52) KMT2ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2240540 0.79 CA12 (0.55) KMT2ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL28501479 0.73 CA12 (0.49) KMT2ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL11852424 0.71 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1GAA
Chlorobenzene SCHEMBL9625713 0.70 TSHR (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL11557089 0.70 ALDH1A1 (0.49) MAPTHTTSMN1; SMN2POLBALDH1A1
SCHEMBL11741804 0.70 MEN1 (0.47) KMT2AMEN1MAPTALDH1A1GAA
Phenol SCHEMBL28146321 0.68 ACHE (0.58) KMT2AMEN1LMNAMAPTHTT
O-Xylene SCHEMBL9626376 0.68 MAPT (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7810380 0.67 ALDH1A1 (0.46) KMT2ALMNAMAPTPOLBHPGD

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
US-5095024-A Parasiticides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed