SCHEMBL28098933

SCHEMBL28098933

O=C(O)c1ccccc1O[N+](=O)[O-].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
ALDH1A1 P00352 10/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 6/20 0.50
HMGB1 P09429 2/20 0.50
NAPRT Q6XQN6 2/20 0.50
TSHR P16473 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
PDE3A Q14432 1/20 0.49
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 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
SCHEMBL29812589 0.98 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL721149 0.98 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL27532655 0.96 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL15557864 0.96 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL15557863 0.96 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10HMGB1
Acetone SCHEMBL28244269 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL27480337 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL1457416 0.81 CTNNB1 (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30678351 0.81 CTNNB1 (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL15557861 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1

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-105862154-A Oil-stain-resistant textile fiber and preparation method thereof 吴江市泽旺纺织有限公司 2016-08-17 CN claimed
CN-105862154-A Oil-stain-resistant textile fiber and preparation method thereof 吴江市泽旺纺织有限公司 2016-08-17 CN disclosed