SCHEMBL27999904

SCHEMBL27999904

O=C(Oc1cccnc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 6/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 2/20 0.49
ELANE P08246 1/20 0.49
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
ABL1 P00519 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL28617927 0.98 KMT2A (0.51) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL21494386 0.93 KMT2A (0.61) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL29034256 0.93 KMT2A (0.56) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL28026740 0.92 POLB (0.57) ALDH1A1MAPTKDM4EKMT2AHTT
Hydrochloric Acid SCHEMBL27439494 0.88 CHRNB2 (0.50) ALDH1A1MAPTKDM4EKMT2AHTT
Hydrochloric Acid SCHEMBL11278555 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL20558316 0.78 KMT2A (0.62) MAPTKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11658709 0.78 KMT2A (0.52) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL2138013 0.78 KMT2A (0.44) ALDH1A1MAPTKDM4EKMT2ATDP1
SCHEMBL3193624 0.77 ELANE (0.73) ALDH1A1MAPTKMT2AHTTSMN1; SMN2

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-114560855-B Cycloalkyl carboxamide derivatives, preparation method and application thereof 成都苑东生物制药股份有限公司 2023-05-23 CN disclosed
CN-114560855-A Cycloalkylcarboxamide derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2022-05-31 CN disclosed
CN-104927879-B Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element JSR株式会社 2018-09-18 CN disclosed
CN-107417549-A As LSD1 inhibitor(It is miscellaneous)Aryl cyclopropyl amines 奥莱松基因组股份有限公司 2017-12-01 CN disclosed
CN-103958474-B (hetero) arylcyclopropylamine compounds as LSD1 inhibitors 奥莱松基因组股份有限公司 2017-03-08 CN disclosed
CN-104927879-A LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE JSR CORP 2015-09-23 CN disclosed
CN-104334557-A Diacylglycerol acyltransferase 2 inhibitors PFIZER 2015-02-04 CN disclosed