SCHEMBL28645867

SCHEMBL28645867

COC(=O)C(C#N)=C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NR1H2 P55055 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR2 Q92731 1/20 0.38
CTSK P43235 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.36
ADORA1 P30542 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 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
SCHEMBL21044848 1.00 MEN1 (0.39) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL21680263 0.84 SMN1; SMN2 (0.42) NR1H2MAPTALDH1A1ESR2CTSK
SCHEMBL28457997 0.83 SMN1; SMN2 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3806239 0.81 MAPT (0.41) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3806240 0.81 MAPT (0.41) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL31465204 0.79 MEN1 (0.49) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3806372 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3252604 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL3252597 0.79 MEN1 (0.43) MEN1KMT2ANR1H2MAPTALDH1A1
SCHEMBL13155039 0.77 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed
CN-113493439-A Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2021-10-12 CN disclosed