SCHEMBL30100682

SCHEMBL30100682

CC1(C)Cc2cc(Nc3ccc(Cl)c(Cl)n3)ccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.38
KIF11 P52732 7/20 0.34
TNIK Q9UKE5 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTK2 Q05397 1/20 0.32
CRBN Q96SW2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
IDO1 P14902 1/20 0.32
PKM P14618 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
SCHEMBL23674636 1.00 BCL6 (0.38) BCL6KIF11TNIKMEN1KMT2A
SCHEMBL23674757 0.84 EGFR (0.41) BCL6KIF11TNIKMEN1KMT2A
SCHEMBL30100814 0.82 KIF11 (0.35) BCL6KIF11TNIKMEN1KMT2A
SCHEMBL23674846 0.82 BCL6 (0.41) BCL6KIF11MEN1KMT2APTK2
SCHEMBL30100735 0.82 BCL6 (0.41) BCL6KIF11MEN1KMT2APTK2
SCHEMBL30100704 0.79 KIF11 (0.35) BCL6KIF11TNIKPTK2MKNK1
SCHEMBL23675005 0.77 MAP4K1 (0.42) KIF11TNIKCRBNMKNK1
SCHEMBL23674941 0.75 RHOA (0.47) KIF11MEN1KMT2APTK2
SCHEMBL17026793 0.71 AHR (0.54) MEN1KMT2AIDO1
SCHEMBL30100702 0.70 NPC1 (0.47) KIF11MEN1KMT2ACRBN

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
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed