SCHEMBL29956315

SCHEMBL29956315

CCc1nn(Cc2ccc(C)cc2)c(Cl)c1C=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 3/20 0.41
DUSP3 P51452 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
TP53 P04637 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL15330262 0.89 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ADUSP3L3MBTL1MAPT
SCHEMBL29951706 0.87 KMT2A (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL15331187 0.85 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ADUSP3L3MBTL1MAPT
SCHEMBL15333494 0.84 KMT2A (0.46) SMN1; SMN2RAB9ADUSP3L3MBTL1MAPT
SCHEMBL15332628 0.79 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ADUSP3L3MBTL1MAPT
SCHEMBL15332734 0.78 MAPT (0.41) SMN1; SMN2RAB9AMAPTALDH1A1HTT
SCHEMBL29953734 0.78
SCHEMBL15333182 0.78 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ADUSP3L3MBTL1MAPT
SCHEMBL29958109 0.76 KMT2A (0.45) SMN1; SMN2RAB9AMAPTALDH1A1HTT
SCHEMBL29955513 0.75 GAA (0.30)

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