SCHEMBL29249351

SCHEMBL29249351

O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1.[NaH]

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.70
TSHR P16473 2/20 0.64
DTYMK P23919 1/20 0.62
LMNA P02545 1/20 0.59
HCAR3 P49019 10/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL1851121 0.98 CASP6 (0.72) CASP6TSHRDTYMKLMNAHCAR3
SCHEMBL263830 0.98 CASP6 (0.72) CASP6TSHRDTYMKLMNAHCAR3
SCHEMBL2711636 0.86 DTYMK (0.58) CASP6TSHRDTYMKLMNAHCAR3
SCHEMBL30931540 0.86 DTYMK (0.58) CASP6TSHRDTYMKLMNAHCAR3
SCHEMBL30810715 0.83 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL842661 0.83 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL145092 0.83 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL27680384 0.83 SRD5A2 (0.67) CASP6TSHRLMNAHCAR3POLB
SCHEMBL9199250 0.83 MAPK1 (0.68) CASP6TSHRDTYMKPOLBTDP1
SCHEMBL504055 0.82 CASP6 (1.00) CASP6TSHRLMNAHCAR3APEX1

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
CN-118324640-A Method for recycling 4-nitroisophthalic acid by using mother liquor of 5-nitroisophthalic acid production 江西大宇医药股份有限公司 2024-07-12 CN disclosed