SCHEMBL11097167

SCHEMBL11097167

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CS[C@@H]2C(=Cc3cccs3)C(=O)N12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PLCG1 P19174 1/20 0.37
PLCG2 P16885 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL11097165 1.00 RAB9A (0.43) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11096748 1.00 RAB9A (0.43) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11097166 1.00 RAB9A (0.43) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9666465 0.85 L3MBTL1 (0.38) RAB9ASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL11096576 0.85 POLB (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11096159 0.85 POLB (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11096178 0.85 POLB (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11096168 0.85 POLB (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL10972194 0.83 L3MBTL1 (0.40) RAB9ASMN1; SMN2POLBL3MBTL1PLCG1
SCHEMBL10977955 0.82 L3MBTL1 (0.42) RAB9AMAPTALDH1A1L3MBTL1

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