SCHEMBL4434207

SCHEMBL4434207

Nc1ccc(Cl)nc1.O=[N+]([O-])c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
MAPT P10636 8/20 0.45
LMNA P02545 5/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
SLC2A1 P11166 1/20 0.41
HPGD P15428 1/20 0.41
PDE7A Q13946 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL27981976 0.89 KMT2A (0.50) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL29392607 0.89 KMT2A (0.50) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL5473 0.89 KMT2A (0.50) ALDH1A1ADRA2AADRA2BADRA2CMAPT
Ethylene SCHEMBL27728658 0.85 KMT2A (0.47) ALDH1A1ADRA2AADRA2BADRA2CMAPT
Nitrous Acid SCHEMBL16781801 0.81 SLC2A1 (0.54) ALDH1A1ADRA2AADRA2BADRA2CMAPT
Nitrous Acid SCHEMBL16781802 0.81 SLC2A1 (0.54) ALDH1A1ADRA2AADRA2BADRA2CMAPT
Formic Acid SCHEMBL28323292 0.81 SLC2A1 (0.50) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL8466648 0.79 ALDH1A1 (0.52) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL8141809 0.79 KMT2A (0.45) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL28168986 0.79 KMT2A (0.56) ALDH1A1ADRA2AADRA2BADRA2CMAPT

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