SCHEMBL11485437

SCHEMBL11485437

Nc1cc(SCCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
BCL2A1 Q16548 1/20 0.55
GSTP1 P09211 2/20 0.49
GSTM2 P28161 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL11839032 0.93 GSTP1 (0.52) MCL1BCL2A1GSTP1GSTM2CA12
SCHEMBL30468979 0.87 MEN1 (0.49) GSTP1GSTM2MAPK1TSHRTDP1
SCHEMBL11483285 0.87 MEN1 (0.49) GSTP1GSTM2MAPK1TSHRTDP1
SCHEMBL1538922 0.81 MAPT (0.56) CA12CA1CA2CA7CA13
SCHEMBL11962582 0.81 TDP1 (0.50) CA12CA1CA2CA7CA13
SCHEMBL31038411 0.78 MAPT (0.54) MAPK1TSHRTDP1MAOAMAOB
SCHEMBL6677640 0.78 MAPT (0.54) MAPK1TSHRTDP1MAOAMAOB
SCHEMBL2419394 0.77 PDE7A (0.56) GSTP1GSTM2MAPK1TSHRTDP1
SCHEMBL11483675 0.77 MAPT (0.54) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL3862471 0.77 APEX1 (0.50) MAPK1TSHRTDP1MAPTALDH1A1

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-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed