SCHEMBL25948837

SCHEMBL25948837

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3ccc4ccccc4c3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.41
ALOX5 P09917 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DPP4 P27487 1/20 0.40
SPR P35270 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
PTGS2 P35354 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
CACNA1B Q00975 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
SCHEMBL25949074 0.92 ALOX5 (0.46) RAD52ALOX5MEN1KMT2AKDM4E
SCHEMBL25949404 0.91 KDM4E (0.45) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25948583 0.89 ALOX5 (0.41) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25938811 0.86 PKM (0.41) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25949402 0.86 KDM4E (0.41) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25948723 0.86 PKM (0.42) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25949213 0.85 ALOX5 (0.41) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25949314 0.84 KDM4E (0.42) PKMRAD52ALOX5MEN1KMT2A
SCHEMBL25942413 0.84 PKM (0.46) PKMALOX5MEN1KMT2ADPP4
SCHEMBL25949367 0.83 KDM4E (0.53) RAD52ALOX5MEN1KMT2AKDM4E

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed