SCHEMBL4553112

SCHEMBL4553112

O=[N+]([O-])c1ccc([N+]2(c3ccc([N+](=O)[O-])cc3)CCN(c3cccnc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
SIRT6 Q8N6T7 2/20 0.40
ADRB1 P08588 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2233973 0.84 POLB (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL8310107 0.72 ALDH1A1 (0.57) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7832804 0.72 HDAC1 (0.57) ALDH1A1MAPTRAB9ANPSR1MEN1
SCHEMBL14334562 0.71 MAPT (0.68) POLBALDH1A1MAPTRAB9A
SCHEMBL27337917 0.69 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ANPSR1MEN1
SCHEMBL13598423 0.68 CHRNB2 (0.58) POLBCHRNB2CHRNA4
SCHEMBL1645682 0.68 HSD11B1 (0.60) POLBALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5352144 0.67 SIRT6 (0.63) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL161236 0.67 CHRNB2 (0.76) CHRNB2CHRNA4
SCHEMBL11544331 0.67 CHRNB2 (0.76) CHRNB2CHRNA4

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