SCHEMBL11622239

SCHEMBL11622239

COc1ccccc1CN(S)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
ACHE P22303 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 3/20 0.47
CHRM2 P08172 2/20 0.46
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 2/20 0.46
CHRM1 P11229 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
AOC3 Q16853 1/20 0.45
HPGD P15428 1/20 0.44
TSPO P30536 1/20 0.44

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
SCHEMBL6583793 0.82 MEN1 (0.62) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL11329375 0.75 ACHE (0.55) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL6676541 0.74 ALDH1A1 (0.51) ACHELMNAAOC3HTTL3MBTL1
SCHEMBL1010680 0.74 LMNA (0.64) MEN1KMT2ASMN1; SMN2LMNAIDO1
SCHEMBL21306338 0.73 MEN1 (0.56) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL4556502 0.73 TSHR (0.55) MEN1KMT2ASMN1; SMN2LMNATDP1
SCHEMBL28269511 0.72 AOC3 (0.50) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL6583786 0.72 MEN1 (0.62) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL6028567 0.72 CYP1A2 (0.51) MEN1KMT2AGAATDP1MTNR1A
1,2-Dimethoxybenzene SCHEMBL28118612 0.72 CA1 (0.72) KMT2ASMN1; SMN2LMNAGAATDP1

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-4116957-A ANTIBIOTIC, ANTIBACTERIAL ARCHIFAR INDUSTRIE CHIMICHE DEL TRENTINO S.P.A. (IT) 1978-09-26 US disclosed