SCHEMBL29434853

SCHEMBL29434853

Oc1ccccc1-c1cccc2nccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.42
MMP2 P08253 1/20 0.42
CHRM1 P11229 1/20 0.42
COMT P21964 1/20 0.42

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
SCHEMBL17215298 1.00 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3069598 0.85 KDM4E (0.58) GSK3BCDK5CDK5R1MAPTKDM4E
SCHEMBL276921 0.81 ACHE (0.56) MAPTKDM4EALDH1A1KMT2AMEN1
Acetic Acid SCHEMBL28812393 0.81 ALOX12 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL28763289 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL28871758 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8510518 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL27575713 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8507966 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL27503544 0.79 ACHE (0.54) MAPTKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed