SCHEMBL28189368

SCHEMBL28189368

CN(C(N)=O)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GRM5 P41594 8/20 0.33
GRM1 Q13255 1/20 0.33
AR P10275 1/20 0.33
SYK P43405 2/20 0.32
ATR Q13535 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNA5 P22460 1/20 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
SCHEMBL432934 0.80 HCAR2 (0.44) HCAR2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL28059802 0.78 HCAR2 (0.38) HCAR2GRM5AR
SCHEMBL27969677 0.78 CA12 (0.32) ALDH1A1KMT2A
SCHEMBL1577273 0.76 NOTUM (0.50) HCAR2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL28003019 0.75 ALOX15 (0.38) HCAR2ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL17785084 0.75 NOTUM (0.49) HCAR2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11058677 0.74 HCAR2 (0.38) HCAR2
SCHEMBL27866631 0.74 HCAR2 (0.38) HCAR2
SCHEMBL23246120 0.74 HCAR2 (0.34) HCAR2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL28869155 0.71 HCAR2 (0.35) HCAR2

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-105638695-B A kind of polyoxin pulvis and preparation method thereof 牡丹江佰佳信生物科技有限公司 2017-12-26 CN claimed
CN-105670979-B Nucleoside phosphorylase, coding gene, high-yield strain thereof and application 南京工业大学 2019-03-26 CN disclosed
CN-108358927-A 1,4- bis- replaces 1,2,3- ribavirin analogs and its preparation method and application 郑州大学 2018-08-03 CN disclosed
CN-105638695-B A kind of polyoxin pulvis and preparation method thereof 牡丹江佰佳信生物科技有限公司 2017-12-26 CN disclosed