SCHEMBL29140441

SCHEMBL29140441

O=C(O)c1ccc([N+](=O)[O-])c(SSc2cc(C(=O)O)ccc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.68
TSHR P16473 2/20 0.62
LMNA P02545 1/20 0.57
APEX1 P27695 1/20 0.56
HCAR3 P49019 8/20 0.53
TP53 P04637 1/20 0.51
DTYMK P23919 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48

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
SCHEMBL11680786 0.86 CASP6 (0.64) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL1025382 0.86 APEX1 (0.69) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL12768130 0.82 CASP6 (0.58) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL29577830 0.81 CASP6 (1.00) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL504055 0.81 CASP6 (1.00) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL10824709 0.79 CASP6 (0.96) CASP6TSHRLMNAAPEX1HCAR3
Hydrochloric Acid SCHEMBL11110871 0.79 CASP6 (0.96) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL17080224 0.79 LMNA (0.61) CASP6TSHRLMNAAPEX1HCAR3
SCHEMBL18376634 0.79 POLB (0.57) CASP6TSHRLMNAAPEX1DTYMK
SCHEMBL18779398 0.79 MEN1 (0.74) CASP6TSHRLMNAAPEX1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117089536-A Modified enzymes 牛津纳米孔科技公开有限公司 2023-11-21 CN disclosed
CN-116622671-A Modified enzymes 牛津纳米孔科技公开有限公司 2023-08-22 CN disclosed