SCHEMBL28836151

SCHEMBL28836151

CCOC(=O)C(C)=CN(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CDC7 O00311 5/20 0.38
▸ DBF4 Q9UBU7 5/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ CHRM5 P08912 1/20 0.35

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
SCHEMBL30930812 0.75 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL361412 0.75 POLB (0.43) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL28512951 0.73 POLQ (0.41) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3833210 0.72 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3833208 0.72 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL11116151 0.71 CYP2C9 (0.56) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL134678 0.71 CYP2C9 (0.56) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL28427631 0.71 LMNA (0.55) KMT2AMAPTALDH1A1KDM4ECDC7
SCHEMBL5089790 0.71 MEN1 (0.58) KMT2AMAPTMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8007864 0.70 CYP2C9 (0.55) KMT2AMAPTMEN1ALDH1A1MAPK1

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-115052912-A High Tg acrylate copolymers with nitrogen-containing aromatic heterocyclic groups 德莎欧洲股份公司 2022-09-13 — — CN disclosed
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