SCHEMBL102309

SCHEMBL102309

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 7/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
WDR5 P61964 1/20 0.44
VCAM1 P19320 1/20 0.43
GPR174 Q9BXC1 1/20 0.43

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
SCHEMBL29114204 0.90 MAPT (0.47) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL3604196 0.87 MEN1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL3604193 0.87 MEN1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL103405 0.85 KMT2A (0.46) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL30006357 0.85 SMARCA2 (0.48) MAPTGAAALDH1A1SMN1; SMN2SMARCA2
SCHEMBL102545 0.85 MAPT (0.60) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL31615706 0.85 MAPT (0.60) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL105500 0.84 SMARCA2 (0.55) MAPTGAAALDH1A1SMN1; SMN2SMARCA2
SCHEMBL28028630 0.83 MEN1 (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL3957603 0.83 SMARCA2 (0.53) MAPTALDH1A1SMARCA2SMARCA4PBRM1

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