SCHEMBL28028630

SCHEMBL28028630

COC(=O)c1ccc(N2CCN(OC(=O)C(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 8/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.44
VCAM1 P19320 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 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 2/20 0.43
WDR5 P61964 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTPS1 P17812 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL28028631 0.85 KDM4E (0.52) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL102309 0.83 MEN1 (0.48) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL27868027 0.83 MAPT (0.60) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3604193 0.82 MEN1 (0.52) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3604196 0.82 MEN1 (0.52) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL103405 0.78 KMT2A (0.46) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3594876 0.76 MEN1 (0.50) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3594880 0.76 MEN1 (0.50) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL29114204 0.75 MAPT (0.47) MEN1KMT2AMAPTGAASMN1; SMN2
Tert-Butyl Formate SCHEMBL28028633 0.74 MEN1 (0.46) MEN1KMT2AMAPTGAASMN1; 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
CN-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed