SCHEMBL4434686

SCHEMBL4434686

CCc1ccnc(C2CN(c3ccc([N+](=O)[O-])cc3)CCN2c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 6/20 0.41
MAPK1 P28482 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL1018619 0.78 POLB (0.55) POLBMAPTMAPK1SIRT6KMT2A
SCHEMBL18040090 0.67 SIRT6 (0.54) POLBMAPTMAPK1SIRT6KMT2A
SCHEMBL10680801 0.66 SIRT6 (0.59) POLBMAPTSIRT6KMT2AMEN1
SCHEMBL16206949 0.65 SIRT6 (0.57) POLBMAPTMAPK1SIRT6KMT2A
SCHEMBL11556051 0.65 POLB (0.71) POLBMAPTMAPK1SIRT6ALDH1A1
SCHEMBL15271381 0.65 SIRT6 (0.81) POLBMAPTSIRT6KMT2AMEN1
SCHEMBL6151230 0.65 SIRT6 (0.81) POLBMAPTSIRT6KMT2AMEN1
SCHEMBL1126486 0.64 SIRT6 (0.56) POLBMAPTSIRT6KMT2AMEN1
SCHEMBL374222 0.63 SIRT6 (0.68) POLBMAPTSIRT6KMT2AMEN1
SCHEMBL10760949 0.63 MAPT (0.51) POLBMAPTSIRT6KMT2AMEN1

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-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed