SCHEMBL29951802

SCHEMBL29951802

CCn1cc(Cl)c(C=O)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.40
HTT P42858 4/20 0.40
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
DUSP3 P51452 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL29956360 0.85 ALDH1A1 (0.36) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL21032673 0.76 SMN1; SMN2 (0.40) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL29950950 0.76 NPC1 (0.49) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL568038 0.75
SCHEMBL4551794 0.75 HTT (0.38) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL16347183 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1L3MBTL1KDM4E
SCHEMBL31332862 0.73 HTT (0.37) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL25423635 0.72
SCHEMBL13440864 0.72
SCHEMBL2513813 0.72 SMN1; SMN2 (0.61) SMN1; SMN2HTTRAB9ANPC1L3MBTL1

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