SCHEMBL24423005

SCHEMBL24423005

CC(C)c1ccnc2c1O[C@@H](C(C)C)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.37
GSK3B P49841 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL24423000 1.00 BRD4 (0.37) BRD4GSK3BLMNAGAAMEN1
SCHEMBL24422994 1.00 BRD4 (0.37) BRD4GSK3BLMNAGAAMEN1
SCHEMBL24423438 0.81 MEN1 (0.34) BRD4GSK3BMEN1KMT2A
SCHEMBL15596523 0.74 GSK3B (0.44) BRD4GSK3BLMNAGAAMEN1
SCHEMBL4898103 0.74 BRD4 (0.41) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL10358533 0.74 BRD4 (0.41) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL27051279 0.72 ADRB1 (0.36) LMNAALDH1A1
SCHEMBL24422996 0.71 HTR2A (0.33)
SCHEMBL24422993 0.71 HTR2A (0.33)
SCHEMBL24423311 0.71 HTR2A (0.33)

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-2022098992-A1 USE OF MACROCYCLIC COMPOUNDS IN METHODS OF TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed