SCHEMBL23600472

SCHEMBL23600472

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc(=N)n(C=N)c2cc(C=O)ccc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.33
ASIC1 P78348 1/20 0.32

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
SCHEMBL23601857 0.91 DHODH (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23601587 0.87 EGFR (0.34) MEN1ALDH1A1KMT2ADHODH
SCHEMBL23601376 0.84 DHODH (0.36) DHODH
SCHEMBL23601250 0.81 DHODH (0.33) MAPTDHODH
SCHEMBL29909022 0.81 ASIC1 (0.33) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL23577116 0.81 ASIC1 (0.33) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL23601374 0.79 DHODH (0.37) DHODH
SCHEMBL23601707 0.78 PDE5A (0.42) DHODH
SCHEMBL23601637 0.73 DHODH (0.32) DHODH
SCHEMBL23601723 0.72 PDE5A (0.36) MEN1ALDH1A1MAPTKMT2A

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed