SCHEMBL25939338

SCHEMBL25939338

CCOC(=O)c1c(CNC(=N)N)n(C)c2cc(-c3cccc4cccc(C)c34)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.40
KDM4E B2RXH2 2/20 0.38
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 2/20 0.37
P4HB P07237 1/20 0.37
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
DPP4 P27487 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL25939465 0.92 PKM (0.40) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25949474 0.92 ALOX5 (0.42) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25938810 0.90 ALOX5 (0.40) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25939235 0.90 ALOX5 (0.42) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25939296 0.88 KDM4E (0.41) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25939233 0.88 KDM4E (0.41) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25944213 0.87 PKM (0.40) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25939466 0.86 ALOX5 (0.40) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25945921 0.86 ALOX5 (0.42) ALOX5KDM4ERAD52ALDH1A1KMT2A
SCHEMBL25939394 0.86 ALOX5 (0.42) ALOX5KDM4ERAD52ALDH1A1KMT2A

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