SCHEMBL24722679

SCHEMBL24722679

CC(C)(C)c1cnc2c(c1)CC[C@@H](N)C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NNMT P40261 2/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL24723535 0.82 SMYD3 (0.36) SMYD3DDB1CRBNNNMT
SCHEMBL24723078 0.79 SMYD3 (0.36) SMYD3DDB1CRBNNNMTIDH1
SCHEMBL24722620 0.78 DDB1 (0.35) SMYD3DDB1CRBNNNMT
SCHEMBL10257795 0.77 CRBN (0.48) CRBN
SCHEMBL24722681 0.74 GAA (0.41) DDB1CRBN
SCHEMBL24722680 0.73 NNMT (0.32) SMYD3NNMT
SCHEMBL11916074 0.72 ABL1 (0.54) SMYD3CRBN
SCHEMBL15910099 0.71 MB (0.32)
SCHEMBL13658077 0.71 KMT2A (0.36) CRBN
SCHEMBL12892808 0.71 CRBN (0.31) CRBN

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-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed