SCHEMBL31722809

SCHEMBL31722809

O=[N+]([O-])c1cc([N+](=O)[O-])c2cc([N+](=O)[O-])ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
TSHR P16473 3/20 0.68
ALDH1A1 P00352 6/20 0.53
GPR35 Q9HC97 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.53
TP53 P04637 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL29720550 0.86 TDP1 (0.70) TDP1TSHRALDH1A1GPR35SMN1; SMN2
SCHEMBL29475186 0.81 TDP1 (1.00) TDP1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL57381 0.81 TDP1 (1.00) TDP1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL187061 0.79 ALDH1A1 (0.63) TDP1TSHRALDH1A1GPR35SMN1; SMN2
Methane SCHEMBL28603558 0.79 TDP1 (0.96) TDP1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL28122579 0.79 TSHR (0.59) TDP1TSHRALDH1A1GPR35SMN1; SMN2
SCHEMBL9734226 0.78 TDP1 (0.74) TDP1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL28796974 0.78 TDP1 (0.63) TDP1TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL28197400 0.78 TDP1 (0.54) TDP1TSHRALDH1A1GPR35SMN1; SMN2
SCHEMBL28257118 0.78 TDP1 (0.54) TDP1TSHRALDH1A1GPR35SMN1; SMN2

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
CN-121537604-A High-temperature-resistant polyurethane elastomer material and preparation process thereof 江苏水元新材料科技有限公司 2026-02-17 CN disclosed
CN-120904422-B High-temperature-resistant polyurethane elastomer material and preparation process thereof 江苏水元新材料科技有限公司 2025-12-02 CN disclosed
CN-120904422-A High-temperature-resistant polyurethane elastomer material and preparation process thereof 江苏水元新材料科技有限公司 2025-11-07 CN disclosed