SCHEMBL31642676

SCHEMBL31642676

O=C(O)CCn1nc2n(c1=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ APEX1 P27695 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL31642347 0.79 KCNH2 (0.36) KCNH2SCN5A
SCHEMBL9496530 0.78 HTT (0.38) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9485950 0.76 MMP2 (0.39) MMP2MMP3MMP9MMP13
SCHEMBL31710474 0.75 ALOX5 (0.42) KCNH2SCN5A
SCHEMBL9377662 0.75 KCNH2 (0.40) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9377308 0.74 MMP2 (0.38) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9377290 0.74 KCNH2 (0.39) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9381481 0.72 KCNH2 (0.40) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL9381651 0.71 KCNH2 (0.39) KCNH2SCN5AMMP2MMP3MMP9
SCHEMBL12013041 0.70 BRD4 (0.38) APEX1

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-2025137537-A1 COMPOSITIONS AND METHODS FOR TREATING MYC-MEDIATED DISEASES ARRAKIS THERAPEUTICS, INC. (US) 2025-06-26 — — WO disclosed
Send feedback