SCHEMBL30432306

SCHEMBL30432306

CCC(CC)c1ccsc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
BCAT2 O15382 1/20 0.42
KMT2A Q03164 2/20 0.39
MAPK8 P45983 2/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3B P49841 1/20 0.36
ALOX5 P09917 3/20 0.36
IKBKB O14920 1/20 0.35
PTK2 Q05397 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCC1 P33527 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL28202713 0.79 BCAT2 (0.46) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL22004182 0.79 KMT2A (0.59) KMT2AMAPK8MAPK10ALDH1A1MAPT
SCHEMBL27896300 0.79 PKM (0.44) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL15575400 0.76 BCAT2 (0.46) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL2279587 0.73 BCAT2 (0.47) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL1379773 0.71 KMT2A (0.68) PKMBCAT2KMT2AMAPK8ALDH1A1
SCHEMBL3077087 0.69 PKM (0.43) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL1373806 0.69
SCHEMBL28517343 0.68 BCAT2 (0.46) PKMBCAT2KMT2AMAPK8MAPK10
SCHEMBL7415977 0.68 GSK3B (0.40) PKMKMT2AALDH1A1MAPTMEN1

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
WO-2023122756-A2 ULK1 AND ULK2 INHIBITORS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-06-29 WO disclosed