SCHEMBL27899338

SCHEMBL27899338

Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.69
NQO2 P16083 3/20 0.52
CYP19A1 P11511 2/20 0.52
ACHE P22303 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
RGS17 Q9UGC6 2/20 0.45
RGS12 O14924 2/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL31425123 1.00 TDP1 (0.69) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL10132870 0.87 CYP19A1 (0.56) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL25914855 0.82 TDP1 (1.00) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL10633372 0.80 TDP1 (0.57) TDP1NQO2CYP19A1ACHEALDH1A1
SCHEMBL30483850 0.77 TDP1 (0.70) TDP1NQO2CYP19A1ACHEALDH1A1
SCHEMBL10132618 0.72 CYP19A1 (0.48) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL25914854 0.72 TDP1 (0.80) TDP1NQO2CYP19A1KDM4EALDH1A1
SCHEMBL10132638 0.71 CYP19A1 (0.47) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL422412 0.70 CYP19A1 (0.47) TDP1NQO2CYP19A1ACHEKDM4E
SCHEMBL10132627 0.70 CYP19A1 (0.47) TDP1NQO2CYP19A1KDM4EALDH1A1

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-119432631-A Recombinant bacterium and application thereof in production of benzophenanthridine alkaloids 陈云 2025-02-14 CN disclosed
CN-111560016-A Method for extracting and separating coptisine from celandine 郑州铁路职业技术学院 2020-08-21 CN disclosed
CN-103059037-B A kind of method of Chelidonine in enriching and purifying greater celandine Daxing'an Mountainrange Lin Gebei psychrophile Science and Technology Co., Ltd. (CN) 2016-05-25 CN disclosed
CN-103059037-A Method for enriching and purifying chelidonine in celandine DAXINGANLING LINGONBERRY ORGANIC FOODSTUFFS CO LTD 2013-04-24 CN disclosed