SCHEMBL9725706

SCHEMBL9725706

CCCN(CCC)C(=S)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2D O15399 1/20 0.39
GRIN2C Q14957 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9870771 0.89 MAPT (0.48) LMNAMAPTALDH1A1HTTGAA
SCHEMBL2462796 0.85 GRIN2D (0.50) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5299287 0.80 GRIN2D (0.47) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1
Ethane SCHEMBL27729139 0.79 GRIN2D (0.46) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28298919 0.78 KMT2A (0.58) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL27816641 0.76 MAPT (0.40) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27509628 0.75 ALDH1A1 (0.50) LMNAMAPTTP53ALDH1A1HTT
Ethane SCHEMBL28074791 0.75 GRIN2D (0.43) MAPTALDH1A1SMN1; SMN2L3MBTL1GRIN2D
SCHEMBL7781426 0.74 MAPT (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL17764211 0.71 ALDH1A1 (0.46) LMNATP53ALDH1A1HTTGAA

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-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
EP-0175332-B1 HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE STAUFFER CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
EP-0175332-A2 Herbicide compositions of extended soil life STAUFFER CHEMICAL COMPANY (US) 1986-03-26 EP disclosed
US-3938986-A ISOPROPYL N-PHENYLCARBAMATE OR ISOPROPYL N-(3-CHLOROPHENYL)CARBAMATE AND 4-CHLOROPHENYL N-METHYLCARBAMATE PPG INDUSTRIES, INC. (US) 1976-02-17 US disclosed