SCHEMBL24722731

SCHEMBL24722731

Cc1cnc2c(c1)CC(NCCN)C(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL6466846 0.74 NNMT (0.39) NNMTSMYD3CRBN
SCHEMBL24723535 0.68 SMYD3 (0.36) NNMTSMYD3DDB1CRBN
SCHEMBL13564023 0.66 ACHE (0.40) NNMT
SCHEMBL21366374 0.66 NNMT (0.33) NNMT
SCHEMBL15541609 0.64 SMYD3 (0.39) NNMTSMYD3CRBN
SCHEMBL24722714 0.64 AKR1B1 (0.34) NNMTDDB1CRBN
SCHEMBL21358706 0.64 SMYD3 (0.36) NNMTSMYD3
SCHEMBL22900729 0.64 NNMT (0.34) NNMT
SCHEMBL728499 0.64 ABL1 (0.58) SMYD3CRBN
SCHEMBL24722687 0.63 CRBN (0.34) 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