SCHEMBL31447707

SCHEMBL31447707

O=[N+]([O-])c1cc(C(c2ccc(O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GPR35 Q9HC97 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL29837196 1.00 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL4649869 1.00 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1026013 0.86 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1027549 0.86 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL1026402 0.86 ALDH1A1 (0.56) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL13885266 0.84 ALDH1A1 (0.42) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL4544532 0.83 MAPK1 (0.50) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL11654910 0.83 GPR35 (0.50) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL7030336 0.83 ALDH1A1 (0.50) ALDH1A1GPR35MAPK1HPGDTSHR
SCHEMBL28238083 0.82 ALDH1A1 (0.49) ALDH1A1GPR35MAPK1HPGDTSHR

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-119504328-A Method for preparing bisphenol nitro compound by using continuous kettle reactor 上海旭流化学科技有限公司 2025-02-25 CN claimed
CN-119504328-A Method for preparing bisphenol nitro compound by using continuous kettle reactor 上海旭流化学科技有限公司 2025-02-25 CN disclosed