SCHEMBL29953433

SCHEMBL29953433

CC(C)(C)c1nn(-c2ccncc2)c(Cl)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL15331096 0.87 MAPT (0.41) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL29956092 0.87 KMT2A (0.48) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL15332774 0.85 MAPT (0.41) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL15329773 0.85 PTGS2 (0.36)
SCHEMBL5904701 0.85 BRAF (0.42) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL15331087 0.84 MAPT (0.41) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL29954298 0.80 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL15331232 0.80 KMT2A (0.45) KMT2AMEN1HSP90AA1SMN1; SMN2MAPT
SCHEMBL15332571 0.78 RIPK2 (0.51) KMT2AMEN1HSP90AA1MAPTLMNA
SCHEMBL29954472 0.78 CNR1 (0.33) KMT2AMEN1HSP90AA1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed