SCHEMBL28009398

SCHEMBL28009398

CCOC(=O)C1Cc2cc([N+](=O)[O-])ccc2N1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 1/20 0.47
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 7/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 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
SCHEMBL16114904 0.86 MAPT (0.47) MAPTTDP1FKBP1AALDH1A1LMNA
SCHEMBL17600397 0.86 MAPT (0.47) MAPTTDP1FKBP1AALDH1A1LMNA
SCHEMBL28009407 0.85 ALDH1A1 (0.44) MAPTTDP1FKBP1AALDH1A1LMNA
SCHEMBL4145687 0.80 MEN1 (0.41) MAPTALDH1A1KMT2AGAAPOLB
SCHEMBL9868101 0.80 ALDH1A1 (0.44) MAPTTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13547877 0.79 HTT (0.46) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL23343522 0.77 NR1D1 (0.50) TP53
SCHEMBL4959583 0.77 NR1D1 (0.50) TP53
SCHEMBL10173636 0.76 ALDH1A1 (0.45) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL9866691 0.75 LTA4H (0.47) KMT2A

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-104640843-A 1-(cycloalkyl-carbonyl)proline derivative DAINIPPON SUMITOMO PHARMA CO 2015-05-20 CN disclosed