SCHEMBL19174282

SCHEMBL19174282

O=[N+]([O-])c1ccc2c(c1)NC(c1ccccc1)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
USP7 Q93009 1/20 0.48
SNCA P37840 1/20 0.44
HTT P42858 2/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYBB P04839 1/20 0.41
TSHR P16473 1/20 0.41
CAPN9 O14815 1/20 0.41

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
SCHEMBL11286970 0.85 TNKS2 (0.58) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6124127 0.78 KMT2A (0.52) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL27704231 0.77 USP7 (0.48) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL17538667 0.76 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL18314788 0.74 KMT2A (0.59) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL27767134 0.73 USP7 (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL27603678 0.73 GAPDH (0.57) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13834469 0.72 KMT2A (0.68) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL28837986 0.72 TNKS2 (0.66) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL9539830 0.72 BRD4 (0.52) MEN1KMT2AGAAALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed