SCHEMBL7086572

SCHEMBL7086572

Cc1ccc(NS)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
KAT2B Q92831 2/20 0.56
ALDH1A1 P00352 4/20 0.54
KCNMA1 Q12791 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL7258796 0.83 TSHR (0.62) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL27872705 0.81 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL28284771 0.81 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL17546158 0.81 KAT2B (0.60) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL2371809 0.81 TSHR (0.60) TSHRCYP3A4KAT2BALDH1A1KCNMA1
Hydrochloric Acid SCHEMBL3009620 0.80 KAT2B (0.61) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL4626839 0.80 TSHR (0.53) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL27264988 0.79 ALDH1A1 (0.58) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1704376 0.79 ALDH1A1 (0.71) TSHRCYP3A4KAT2BALDH1A1KCNMA1
SCHEMBL10252732 0.79 TSHR (0.56) TSHRCYP3A4KAT2BALDH1A1KCNMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079829-B1 USE OF BENZOFUROXAN DERIVATIVES IN TREATING ANGINA PECTORIS TORRENT PHARMACEUTICALS LTD (IN) 2003-07-23 EP disclosed
CN-1302205-A Use of benzofuroxan derivatives for treating angina pectoris TORANTO MEDICINE CO LTD (IN) 2001-07-04 CN disclosed
US-6232331-B1 TOLERANCE RESISTANT NITRIC OXIDE DONORS IN TREATMENT OF ANGINA PECTORIS TORRENT PHARMACEUTICAL LTD. (IN) 2001-05-15 US disclosed