SCHEMBL25567716

SCHEMBL25567716

O=c1c(F)coc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 5/20 0.56
PTPN1 P18031 1/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NISCH Q9Y2I1 1/20 0.47
ADORA2B P29275 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL24682836 0.82 MAOB (0.44) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL13267885 0.81 NMUR2 (0.55) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL30169590 0.80 MAOA (0.47) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL28990342 0.77 PTPN1 (0.64) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL28990301 0.77 PTPN1 (0.64) MAOBPTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27755477 0.77 MAOB (0.58) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL30715535 0.76 CYP11B1 (0.54) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL28990316 0.76 PTPN1 (0.65) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL28990297 0.76 CYP11B1 (0.54) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL12655257 0.76 MAOB (0.73) MAOBMAOAPTPN1CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115612004-B Polyolefin with multifunctional side group and preparation method thereof 中国石油天然气股份有限公司 2024-08-09 CN disclosed
CN-115991695-B Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2024-06-21 CN disclosed
WO-2023085843-A1 NON-AQUEOUS ELECTROLYTE CONTAINING NON-AQUEOUS ELECTROLYTE ADDITIVE, AND LITHIUM SECONDARY BATTERY INCLUDING SAME 주식회사 엘지에너지솔루션 2023-05-19 WO disclosed
CN-115991695-A Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2023-04-21 CN disclosed
CN-115991695-A Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2023-04-21 CN disclosed
CN-115612004-A Polyolefin with multifunctional side group and preparation method thereof 中国石油天然气股份有限公司 2023-01-17 CN disclosed
CN-110407788-B Fluorine-containing skeleton and synthesis method thereof 中南大学 2022-06-10 CN disclosed