SCHEMBL29954472

SCHEMBL29954472

CC(C)(C)c1nn(-c2ncccn2)c(Cl)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL15332280 0.85 CYP1A2 (0.33)
SCHEMBL29951390 0.83 MAPK14 (0.38) CNR1CNR2MEN1KMT2AHSP90AA1
SCHEMBL29952980 0.80 HTT (0.42) MEN1KMT2A
SCHEMBL29956092 0.79 KMT2A (0.48) MEN1KMT2AHSP90AA1
SCHEMBL29953433 0.78 KMT2A (0.36) MEN1KMT2AHSP90AA1
SCHEMBL15329760 0.77 SMN1; SMN2 (0.41) CNR1CNR2MEN1KMT2AHSP90AA1
SCHEMBL15331096 0.76 MAPT (0.41) CNR1CNR2MEN1KMT2AHSP90AA1
SCHEMBL15330737 0.76 PIK3CG (0.30)
SCHEMBL15331232 0.75 KMT2A (0.45) MEN1KMT2AHSP90AA1
SCHEMBL15332333 0.75 MAPK14 (0.38) MEN1KMT2AHSP90AA1

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