SCHEMBL12874129

SCHEMBL12874129

O=C1N[C@@H](c2ccccc2)[C@H]1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
P2RX7 Q99572 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA2 P00918 2/20 0.38
TNKS2 Q9H2K2 1/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL12463067 0.77 SMN1; SMN2 (0.48) SMN1; SMN2P2RX7KMT2AMEN1CA2
SCHEMBL2112086 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL2112084 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL7358888 0.74 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1CA2MAPT
SCHEMBL2112085 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL13798670 0.74 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1CA2MAPT
SCHEMBL13811563 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL5521516 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL9511228 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CA2TNKS2
SCHEMBL15669988 0.74 SMN1; SMN2 (0.54) SMN1; SMN2P2RX7KMT2AMEN1CA2

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-7893283-B2 Protected taxane chemical intermediates ; one step; using beta-lactam, oxazolidine or oxazoline CHATHAM BIOTEC, LIMITED (CA) 2011-02-22 US disclosed