SCHEMBL7156248

SCHEMBL7156248

O=C(O)N(CCOCC#CI)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
ADRA2C P18825 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL9676637 0.88 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7157419 0.87 CYP3A4 (0.36) SMN1; SMN2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL1018865 0.76 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL26104684 0.74 TP53 (0.50) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL10941853 0.73 MEN1 (0.49) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL28423369 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TP53
SCHEMBL4076343 0.71 KDM4E (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL7152428 0.71
SCHEMBL5154776 0.69 ADRA2C (0.55) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL6736730 0.69 TSHR (0.35) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9

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
EP-1164850-B1 AQUEOUS FUNGICIDE DISPERSION AVECIA LTD (GB) 2003-06-25 EP disclosed
US-6506794-B1 An aqueous dispersion comprising a halopropargyl compound and a partially hydrolysed polyvinyl alcohol. The aqueous dispersions are useful for inhibiting the growth of micro-organisms on or in a medium, especially an industrial AVECIA INC. 2003-01-14 US disclosed
EP-1164850-A1 AQUEOUS FUNGICIDE DISPERSION Avecia Limited (GB) 2002-01-02 EP disclosed
WO-2000057702-A1 AQUEOUS FUNGICIDE DISPERSION AVECIA LIMITED (GB) 2000-10-05 WO disclosed