SCHEMBL9856153

SCHEMBL9856153

CCC(C)Sc1ccc(SCCNC(O)=S)cc1.NC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.41
HTT P42858 9/20 0.41
MAPT P10636 8/20 0.41
ALOX12 P18054 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 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
SCHEMBL9856024 0.96 LMNA (0.44) LMNAHTTMAPTALOX12MEN1
SCHEMBL9855981 0.83 MAPT (0.40) LMNAHTTMAPTALOX12MEN1
SCHEMBL10394255 0.83 USP2 (0.37) HTTMAPTMEN1KMT2AMTNR1A
SCHEMBL9856660 0.82 MAPT (0.45) LMNAHTTMAPTALOX12MEN1
SCHEMBL9856462 0.78 USP2 (0.40) HTTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL9856021 0.78 MTNR1A (0.44) LMNAHTTMTNR1AMTNR1BALDH1A1
SCHEMBL9856226 0.75 MTNR1A (0.44) LMNAHTTKMT2AMTNR1AMTNR1B
SCHEMBL9856284 0.73 CA2 (0.43) LMNAHTTMAPTALOX12MEN1
SCHEMBL9856352 0.73 MAOA (0.42) LMNAHPGD
SCHEMBL10394859 0.71 MTNR1A (0.44) LMNAHTTMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
EP-0169169-B1 NOVEL AROMATIC COMPOUNDS SANDOZ AG (CH) 1990-10-17 EP disclosed
EP-0169169-A2 Novel aromatic compounds SANDOZ AG (CH) 1986-01-22 EP disclosed