SCHEMBL11713719

SCHEMBL11713719

COc1ccc(C(C)SC(=O)N2CCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ HPGD P15428 4/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL11712593 0.82 CHRNA7 (0.46) KMT2AMEN1HPGDSMN1; SMN2HTT
SCHEMBL14482310 0.82 HPGD (0.49) KMT2AMEN1HPGDSMN1; SMN2HTT
SCHEMBL11715829 0.82 HPGD (0.49) KMT2AMEN1HPGDSMN1; SMN2HTT
SCHEMBL14482311 0.82 HPGD (0.49) KMT2AMEN1HPGDSMN1; SMN2HTT
SCHEMBL1959288 0.75 MEN1 (0.47) KMT2AMEN1MAPTALOX5RAB9A
SCHEMBL8736735 0.74 KMT2A (0.57) KMT2AMEN1HPGDSMN1; SMN2ALOX15
SCHEMBL7038457 0.74 MMP1 (0.55) KMT2AMEN1HPGDSMN1; SMN2ALOX15
SCHEMBL7038451 0.74 MMP1 (0.55) KMT2AMEN1HPGDSMN1; SMN2ALOX15
SCHEMBL11715776 0.72 HPGD (0.53) KMT2AMEN1HPGDSMN1; SMN2ALOX15
SCHEMBL11267680 0.71 HPGD (0.51) KMT2AMEN1HPGDSMN1; SMN2ALOX15

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-4029646-A Benzyl N,N-hexamethylenethiolcarbamate compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 — — US claimed
US-4029646-A Benzyl N,N-hexamethylenethiolcarbamate compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 — — US disclosed
US-4005071-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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