SCHEMBL29045950

SCHEMBL29045950

CC(=O)NC(C)c1nccc2c1[nH]c1c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SSTR4 P31391 2/20 0.39
NSD2 O96028 2/20 0.38
SETD2 Q9BYW2 2/20 0.38
PARP14 Q460N5 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.36
BRPF1 P55201 1/20 0.36
RPA1 P27694 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29986915 1.00 L3MBTL1 (0.41) L3MBTL1SSTR4NSD2SETD2PARP14
SCHEMBL29045947 1.00 L3MBTL1 (0.41) L3MBTL1SSTR4NSD2SETD2PARP14
SCHEMBL29045875 0.86 DYRK1A (0.41) L3MBTL1PARP14NPC1ALOX12RAB9A
SCHEMBL29045871 0.86 DYRK1A (0.41) L3MBTL1PARP14NPC1ALOX12RAB9A
SCHEMBL29985509 0.86 DYRK1A (0.41) L3MBTL1PARP14NPC1ALOX12RAB9A
SCHEMBL29045924 0.84 PARP14 (0.38) L3MBTL1SSTR4NSD2SETD2PARP14
SCHEMBL29045929 0.84 PARP14 (0.38) L3MBTL1SSTR4NSD2SETD2PARP14
SCHEMBL29045951 0.84 PARP14 (0.54) L3MBTL1PARP14NPC1RAB9AKDM4E
SCHEMBL29045946 0.84 PARP14 (0.54) L3MBTL1PARP14NPC1RAB9AKDM4E
SCHEMBL29045901 0.79 BCHE (0.49) L3MBTL1PARP14KIF11KDM4EMAPT

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