SCHEMBL29958073

SCHEMBL29958073

CCCc1nn(-c2ccncc2)c(Cl)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
KHK P50053 1/20 0.32
MAPT P10636 6/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RECQL P46063 1/20 0.32
GLP1R P43220 1/20 0.31
GSK3B P49841 1/20 0.31
KMT2A Q03164 3/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MAPK1 P28482 2/20 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
SCHEMBL29952221 0.89 KHK (0.38) SMN1; SMN2KHKMAPTALDH1A1LMNA
SCHEMBL29956741 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15330703 0.87 MAPT (0.40) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL15332498 0.86 MAPT (0.40) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15329903 0.85 MAPT (0.38) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15331272 0.85 MAPT (0.43) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15329789 0.82 GAA (0.35) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL2558172 0.81 GAA (0.39) MAPTALDH1A1GLP1RHTTL3MBTL1
SCHEMBL15330211 0.81 KMT2A (0.47) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL2560952 0.81 CNR2 (0.37) SMN1; SMN2MAPTALDH1A1LMNANPSR1

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