SCHEMBL1018875

SCHEMBL1018875

CCc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.54
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL1126692 0.83 SIRT6 (0.57) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL942671 0.80 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL22495369 0.77 SIRT6 (0.50) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6151230 0.75 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15271381 0.75 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14618026 0.74 HTR3A (0.62) ALDH1A1
SCHEMBL1127229 0.74 KMT2A (0.66) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13362485 0.74 PDE10A (0.55)
SCHEMBL14818715 0.74 PDE10A (0.59)
SCHEMBL1018619 0.73 POLB (0.55) SIRT6MAPTALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed