SCHEMBL5487843

SCHEMBL5487843

CCC1C[CH]CCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIRT6 Q8N6T7 2/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL13292851 0.80 KMT2A (0.50) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL6714741 0.79 ALDH1A1 (0.53) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL15514037 0.77 MEN1 (0.47) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL6605777 0.74 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16297415 0.74 MAPT (0.52) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28949645 0.70 MEN1 (0.43) MEN1KMT2ASIRT6MAPTALDH1A1
Morpholine SCHEMBL27719 0.70 SIRT6 (0.47) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL16206949 0.69 SIRT6 (0.57) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL27972080 0.69 MAPT (0.70) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL6095682 0.69 MAPT (0.47) MEN1KMT2ASIRT6MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed