SCHEMBL28567772

SCHEMBL28567772

O=COCc1cccc2nc3ccccc3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 9/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRB P10828 2/20 0.35
BLM P54132 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL27513259 0.83 ALDH1A1 (0.41) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL28113326 0.76 KMT2A (0.46) MAPTRAB9AALDH1A1KMT2AGAA
SCHEMBL11406620 0.75 SRC (0.40) RAB9AALDH1A1KMT2ATHRBBLM
SCHEMBL3414003 0.74 NQO2 (0.50) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL9934669 0.74 MAPT (0.50) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL27810285 0.73 MMP2 (0.44) MAPTRAB9AALDH1A1KMT2ANPC1
SCHEMBL6007433 0.73 ADH1B (0.43) NQO2MAPTRAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6769346 0.73 NQO2 (0.48) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL27951414 0.72 NQO2 (0.45) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL29853 0.72 NPC1 (0.54) RAB9AKMT2ACYP1A2CYP2C9CYP2C19

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-107188858-B Phenazine-1-formyl piperazine compound and application thereof 长江大学 2021-05-04 CN claimed
CN-107188858-B Phenazine-1-formyl piperazine compound and application thereof 长江大学 2021-05-04 CN disclosed