SCHEMBL29951954

SCHEMBL29951954

O=Cc1ccc(N2CCNCC2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
POLB P06746 4/20 0.71
ALDH1A1 P00352 13/20 0.61
KMT2A Q03164 15/20 0.42
MEN1 O00255 14/20 0.42
MAPT P10636 13/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 4/20 0.41
HPGD P15428 3/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
THRB P10828 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1958677 0.81 SMN1; SMN2 (0.96) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL15331670 0.81 SMN1; SMN2 (0.59) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1960058 0.80 SMN1; SMN2 (0.73) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL2557965 0.79 SMN1; SMN2 (0.57) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1960623 0.79 SMN1; SMN2 (0.71) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL20206188 0.73 POLB (0.63) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL1959071 0.72 POLB (0.61) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL2559210 0.71 ALDH1A1 (0.64) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL27959970 0.71 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL24713215 0.69 ALDH1A1 (0.62) SMN1; SMN2POLBALDH1A1KMT2AMEN1

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