SCHEMBL30002194

SCHEMBL30002194

O=C1CCCc2ccc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
CYP2A6 P11509 1/20 0.38
PRKCI P41743 1/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL6635128 1.00 MAOA (0.38) MAOAMAOBCYP2A6PRKCIMAPT
SCHEMBL527664 0.88 PBRM1 (0.34) KMT2AHSD17B10TDP2NSD2HTR1A
SCHEMBL29864428 0.88 PBRM1 (0.34) KMT2AHSD17B10TDP2NSD2HTR1A
SCHEMBL10286556 0.77 MAOA (0.42) MAOAMAOBCYP2A6PRKCIMAPT
SCHEMBL10271342 0.77 MAOA (0.38) MAOAMAOBCYP2A6PRKCIMAPT
SCHEMBL23376842 0.77 MAOA (0.38) MAOAMAOBCYP2A6PRKCIKMT2A
SCHEMBL10286555 0.77 KDM4E (0.39) MAOAMAOBCYP2A6PRKCIMAPT
SCHEMBL526350 0.77 S100A4 (0.40) MAOAMAOBCYP2A6PRKCIRAB9A
SCHEMBL30001849 0.77 S100A4 (0.40) MAOAMAOBCYP2A6PRKCIRAB9A
SCHEMBL12446468 0.77 HTR2A (0.33) TDP2NSD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368411-B Zinc complex and preparation method thereof 北京服装学院 2024-06-11 CN disclosed
CN-117720541-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2024-03-19 CN disclosed
CN-117263993-A Iron complex and method for preparing biodegradable polyester by catalysis of iron complex 北京服装学院 2023-12-22 CN disclosed
CN-115368546-B Preparation method of biodegradable polyester 北京服装学院 2023-10-24 CN disclosed
CN-111902413-B Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2023-10-17 CN disclosed
CN-115368546-A Preparation method of biodegradable polyester 北京服装学院 2022-11-22 CN disclosed