SCHEMBL9625815

SCHEMBL9625815

CCCCCCl.O=C(O)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CASP3 P42574 4/20 0.41
SENP8 Q96LD8 4/20 0.41
SENP7 Q9BQF6 4/20 0.41
SENP6 Q9GZR1 4/20 0.41
POLB P06746 4/20 0.41
CASP9 P55211 2/20 0.41
CASP6 P55212 2/20 0.41
CASP8 Q14790 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL218867 0.82 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL7036575 0.80 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL20716078 0.77 LMNA (0.49) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL29111868 0.73 TSHR (0.51) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL27938343 0.72 SMN1; SMN2 (0.54) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL28340091 0.71 ALDH1A1 (0.36) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL1937600 0.70 LMNA (0.54) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL6736049 0.70 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL28824386 0.70 MAPT (0.54) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL6979866 0.70 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTKMT2AMEN1

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
EP-0186252-B1 USE OF THIOPHENE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT AGAINST TUMOURS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1992-04-01 EP disclosed