SCHEMBL29955028

SCHEMBL29955028

COCc1nn(-c2ccccc2)c(Cl)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 7/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RECQL P46063 2/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL15331553 0.89 PTGS2 (0.40) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2555972 0.88 KMT2A (0.47) GAASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL15329789 0.88 GAA (0.35) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2560783 0.88 GAA (0.44) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2559169 0.86 MAPT (0.42) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL2557973 0.86 MAPT (0.38) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2559829 0.86 NPBWR1 (0.45) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL15330842 0.85 KMT2A (0.38) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2575197 0.85 NPBWR1 (0.39) GAASMN1; SMN2RAB9ANPC1LMNA
SCHEMBL29953708 0.84 SMN1; SMN2 (0.47) GAASMN1; SMN2RAB9ANPC1LMNA

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