SCHEMBL9739776

SCHEMBL9739776

COc1ccccc1SC[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL9711268 0.81 IDO1 (0.41) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL4368894 0.77 ALDH1A1 (0.53) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL11698159 0.76 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL30753695 0.75 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL2284298 0.75 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL11986310 0.74 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL8444448 0.74 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1TDP1L3MBTL1
SCHEMBL9740256 0.73 SMN1; SMN2 (0.40) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9739624 0.73 LMNA (0.46) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8746025 0.73 MAPT (0.37) ALDH1A1TDP1L3MBTL1CA12CA2

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
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed