SCHEMBL9627280

SCHEMBL9627280

CCOC(=S)NN.Fc1ccc(F)cc1.NNC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 6/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.36
THRB P10828 1/20 0.35
MAPK1 P28482 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
SCHEMBL9737808 0.85 CA12 (0.39) MAPTKDM4EGAAMEN1KMT2A
O-Xylene SCHEMBL9626376 0.83 MAPT (0.41) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL260004 0.79
Bromide SCHEMBL4400362 0.77
SCHEMBL8986629 0.68 CA12 (0.52) IDO1GAATDP1KMT2ALMNA
SCHEMBL27625470 0.66 ALDH1A1 (0.50) IDO1ALDH1A1NPC1RAB9A
SCHEMBL11557089 0.66 ALDH1A1 (0.49) MAPTIDO1TDP1ALDH1A1SMN1; SMN2
SCHEMBL10593979 0.64 MAPT (0.40) MAPTKDM4EGAATDP1MEN1
Alcohol SCHEMBL28251608 0.64 IDO1 (0.85) MAPTIDO1KDM4EGAAMEN1
SCHEMBL25223300 0.63 MAPT (0.71) MAPTKDM4EGAATDP1MEN1

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