SCHEMBL4426616

SCHEMBL4426616

CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ncco2)CC1.O=[N+]([O-])c1ccc(Cl)c(-c2ncco2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 9/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
CYP2D6 P10635 1/20 0.45
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
PAK1 Q13153 1/20 0.42

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
SCHEMBL1647478 0.94 HTT (0.48) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL1644779 0.83 HSD17B10 (0.49) ALDH1A1HTTMAPTCYP3A4SMN1; SMN2
SCHEMBL30464734 0.76 ALDH1A1 (0.66) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL2461666 0.76 ALDH1A1 (0.66) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL7803729 0.75 HTT (0.60) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL1645633 0.74 KDM4E (0.50) WDR5KMT2AALDH1A1HTTMAPT
SCHEMBL8689842 0.73 HSD17B10 (0.49) KMT2AALDH1A1MAPTMEN1KCNJ1
SCHEMBL28845817 0.73 WDR5 (0.52) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL5557064 0.71 WDR5 (0.66) WDR5KMT2AALDH1A1LMNAHTT
SCHEMBL28504649 0.71 HTT (0.50) WDR5KMT2AALDH1A1LMNAHTT

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