SCHEMBL22658209

SCHEMBL22658209

Nc1cncc(CCC=O)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
DDO Q99489 1/20 0.37
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL27922486 0.77 MAOA (0.31)
SCHEMBL22658219 0.77 POLB (0.37) KDM4E
SCHEMBL30515544 0.77 NOS1 (0.38) NOS1
SCHEMBL15577863 0.77 NOS1 (0.38) NOS1
SCHEMBL23541061 0.74 NOS1 (0.37) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL347549 0.73 HCAR2 (0.31)
SCHEMBL7675347 0.73
SCHEMBL11803991 0.72 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL27961462 0.72 CYP11B2 (0.43) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL28294266 0.72 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNAKMT2A

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
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed