SCHEMBL11718858

SCHEMBL11718858

CC(=O)Nc1ccc(NC(C)=S)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HTT P42858 1/20 0.67
GAA P10253 1/20 0.64
KMT2A Q03164 6/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
BRD4 O60885 1/20 0.64
NR1I2 O75469 1/20 0.64
MB P02144 1/20 0.64
CYP1A1 P04798 1/20 0.64
CA3 P07451 1/20 0.64
CYP3A4 P08684 1/20 0.64
RARG P13631 1/20 0.64

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
SCHEMBL14511451 0.87 TAS2R38 (0.75) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL861674 0.87 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL5458028 0.86 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL13838252 0.82 MAPT (0.60) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL1203942 0.81 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL10756195 0.80 ALDH1A1 (0.63) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL2344103 0.80 ALDH1A1 (0.63) SMN1; SMN2L3MBTL1GAAKMT2AMEN1
SCHEMBL3818831 0.80 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1HTTGAAKMT2A
SCHEMBL11158565 0.80 MAPT (0.83) SMN1; SMN2L3MBTL1HTTGAAKMT2A
Fluoride SCHEMBL8043269 0.79 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTGAAKMT2A

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-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed