SCHEMBL28611069

SCHEMBL28611069

O=C(O)CN1C(=O)C(c2cccs2)=C(c2cccs2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
APEX1 P27695 2/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTGES O14684 1/20 0.41
NR4A1 P22736 1/20 0.40
GAA P10253 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL28611071 0.70 CA12 (0.47) CA12CA9APEX1KDM4EALDH1A1
SCHEMBL2444428 0.70 ALDH1A1 (0.43) APEX1KDM4EALDH1A1MAPTHPGD
SCHEMBL8871573 0.70 L3MBTL1 (0.47) CA12CA9ALDH1A1MAPTHSD17B10
SCHEMBL8790045 0.69 KMT2A (0.63) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4894394 0.69 KDM4E (0.50) APEX1KDM4EALDH1A1MAPTTDP1
SCHEMBL28594696 0.69 BCHE (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11631164 0.69 CA12 (0.42) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL522649 0.69 CA12 (1.00) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL29744481 0.69 CA12 (1.00) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL19333903 0.68 CA12 (0.58) CA12CA9KDM4EALDH1A1MAPT

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
CN-108586601-B Bone targeting salmon calcitonin and preparation method thereof 四川大学 2021-07-27 CN disclosed