SCHEMBL28567770

SCHEMBL28567770

CC(=O)Oc1cccc2nc3ccccc3nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.61
ACHE P22303 2/20 0.52
ALDH1A1 P00352 5/20 0.50
BLM P54132 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 7/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL6213177 0.86 NQO2 (0.59) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL317958 0.84 NQO2 (0.58) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL27450148 0.82 ALDH1A1 (0.44) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL28375189 0.81 NQO2 (0.54) NQO2ACHEALDH1A1BLMKDM4E
Acetic Acid SCHEMBL28270696 0.81 NQO2 (0.80) NQO2ALDH1A1BLMKDM4ERAB9A
SCHEMBL8940303 0.81 NQO2 (0.54) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL28092677 0.80 NQO2 (0.53) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL28384802 0.80 NQO2 (0.53) NQO2ACHEALDH1A1BLMKDM4E
SCHEMBL30914171 0.79 BCHE (0.52) NQO2ALDH1A1BLMKDM4ERAB9A
SCHEMBL30914170 0.79 NQO2 (0.55) NQO2ALDH1A1BLMRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188858-B Phenazine-1-formyl piperazine compound and application thereof 长江大学 2021-05-04 CN claimed
CN-106029890-B Plants with enhanced tolerance to herbicides 巴斯夫农业公司 2022-04-12 CN disclosed
CN-105637091-B Plants with enhanced tolerance to herbicides 巴斯夫农业公司 2021-11-16 CN disclosed
CN-107188858-B Phenazine-1-formyl piperazine compound and application thereof 长江大学 2021-05-04 CN disclosed