SCHEMBL103405

SCHEMBL103405

COC(=O)c1ccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 7/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
VCAM1 P19320 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 1/20 0.41
CTPS1 P17812 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3594880 0.87 MEN1 (0.50) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL3594876 0.87 MEN1 (0.50) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL102309 0.85 MEN1 (0.48) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL104152 0.84 KDM4E (0.53) MAPTGAASMN1; SMN2POLBHPGD
SCHEMBL103741 0.84 GPR119 (0.41) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL3435963 0.82 GPR119 (0.45) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL103920 0.81 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16549837 0.80 GPR119 (0.39) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL16549836 0.80 GPR119 (0.39) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL29114204 0.79 MAPT (0.47) KMT2AMEN1MAPTGAASMN1; SMN2

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
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed