SCHEMBL11096159

SCHEMBL11096159

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CS[C@@H]2/C(=C/c3ccsc3)C(=O)N12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.37
PLCG1 P19174 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11096178 1.00 POLB (0.38) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11096168 1.00 POLB (0.38) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11096576 1.00 POLB (0.38) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11097165 0.85 RAB9A (0.43) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11097167 0.85 RAB9A (0.43) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11097166 0.85 RAB9A (0.43) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL11096748 0.85 RAB9A (0.43) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL10977955 0.83 L3MBTL1 (0.42) RAB9AALDH1A1L3MBTL1
SCHEMBL9666465 0.82 L3MBTL1 (0.38) POLBSMN1; SMN2HTTRAB9APLCG1
SCHEMBL10975137 0.82 HTT (0.39) POLBSMN1; SMN2HTTRAB9AALDH1A1

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-0120613-A1 Penem derivatives and precursors BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed