SCHEMBL29045876

SCHEMBL29045876

CC(=O)N[C@H](C)c1nccc2c1[nH]c1ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.47
CHUK O15111 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
PTGS1 P23219 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 1/20 0.42
GSK3B P49841 1/20 0.42
ELANE P08246 1/20 0.41
DYRK1A Q13627 1/20 0.40
ACACB O00763 1/20 0.40
BRAF P15056 1/20 0.39
IDH1 O75874 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL29045879 1.00 PARP14 (0.47) PARP14CHUKL3MBTL1PTGS2MAPT
SCHEMBL29985536 1.00 PARP14 (0.47) PARP14CHUKL3MBTL1PTGS2MAPT
SCHEMBL29045894 0.87 HTR2C (0.44) PARP14L3MBTL1DYRK1ABRAFNPC1
SCHEMBL29045901 0.87 BCHE (0.49) PARP14L3MBTL1MAPTDYRK1ABRAF
SCHEMBL29045899 0.87 BCHE (0.49) PARP14L3MBTL1MAPTDYRK1ABRAF
SCHEMBL29986612 0.87 HTR2C (0.44) PARP14L3MBTL1DYRK1ABRAFNPC1
SCHEMBL29986906 0.87 BCHE (0.49) PARP14L3MBTL1MAPTDYRK1ABRAF
SCHEMBL29045890 0.87 HTR2C (0.44) PARP14L3MBTL1DYRK1ABRAFNPC1
SCHEMBL29986202 0.86 AR (0.42) PARP14CHUKL3MBTL1MEN1KMT2A
SCHEMBL29045927 0.86 JAK2 (0.44) PARP14CHUKL3MBTL1GSK3BDYRK1A

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-115304597-B Beta-carboline compounds and application thereof in preparation of medicines for treating or preventing tumor diseases 中国科学院深圳先进技术研究院 2023-10-20 CN disclosed
CN-115304597-A Beta-carboline compounds and application thereof in preparing medicines for treating or preventing tumor diseases 中国科学院深圳先进技术研究院 2022-11-08 CN disclosed