SCHEMBL24469396

SCHEMBL24469396

CCc1cn(CCCC(=O)C(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
GBA1 P04062 9/20 0.39
EP300 Q09472 6/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DGAT1 O75907 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL18751688 0.88 EPHX2 (0.44) EPHX2GBA1HRH4HRH3
SCHEMBL25734929 0.87 GGPS1 (0.40) EPHX2HRH4HRH3DGAT1NR1H4
SCHEMBL26382134 0.84 EPHX2 (0.48) EPHX2GBA1EP300
SCHEMBL25446424 0.83 DGAT1 (0.49) DGAT1
SCHEMBL22695703 0.83 EPHX2 (0.43) EPHX2GBA1EP300HRH4HRH3
SCHEMBL25735002 0.83 EPHX2 (0.47) EPHX2GBA1HRH4HRH3
SCHEMBL23974562 0.82 EPHX2 (0.43) EPHX2GBA1EP300HRH4HRH3
SCHEMBL24974617 0.82 EP300 (0.43) EPHX2GBA1EP300DGAT1
SCHEMBL25734931 0.81 HRH4 (0.49) HRH4HRH3NR1H4
SCHEMBL25446423 0.80 DGAT1 (0.51) EPHX2EP300DGAT1

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
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 WO disclosed