SCHEMBL6690296

SCHEMBL6690296

c1ccc2c(c1)CNOO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30

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
SCHEMBL31713005 0.78 OXTR (0.44) OXTRGAANPSR1MAOBMAOA
SCHEMBL30484685 0.76
SCHEMBL186955 0.76
Formaldehyde SCHEMBL28963673 0.71 OXTR (0.45) OXTRGAANPSR1MAOBMAOA
SCHEMBL7606738 0.67 MAOA (0.70) OXTRGAANPSR1MAOBMAOA
SCHEMBL29059112 0.65 CA12 (0.41) OXTRGAANPSR1MAOBMAOA
SCHEMBL879092 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA
SCHEMBL21766748 0.64 OXTR (0.47) OXTRGAANPSR1MAOBMAOA
SCHEMBL29356240 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA
SCHEMBL17969084 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109041658-A A kind of Antiphytoviral seed coat agent and its application 北京清源保生物科技有限公司 2018-12-21 CN claimed
CN-109053431-A Application of the ferulic acid or derivatives thereof in prevention and treatment bacteriosis or nosomycosis 北京清源保生物科技有限公司 2018-12-21 CN claimed
CN-118251218-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-06-25 CN disclosed
WO-2020241749-A1 COMBINATION CANCER THERAPY USING SULFONAMIDE COMPOUND AND IMMUNOMODULATORY 大鵬薬品工業株式会社 2020-12-03 WO disclosed
CN-107108485-B KCNQ 2-5 channel activator 小野药品工业株式会社 2020-06-12 CN disclosed
CN-102690241-B Benzoyl urea compound containing isoxazoline and isoxazole structure, and preparation and application thereof UNIV NANKAI 2014-07-09 CN disclosed
CN-102690241-A Benzoyl urea compound containing isoxazoline and isoxazole structure, and preparation and application thereof UNIV NANKAI 2012-09-26 CN disclosed
JP-2004217941-A THERMOSETTING COMPOSITION AND ITS CURED PRODUCT HITACHI CHEM CO LTD 2004-08-05 JP disclosed