SCHEMBL25645288

SCHEMBL25645288

Cc1ccc(Nc2nc3nonc3nc2N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.52
MEN1 O00255 14/20 0.52
MAPT P10636 14/20 0.52
KDM4E B2RXH2 12/20 0.52
HTT P42858 7/20 0.52
LMNA P02545 5/20 0.52
NPC1 O15118 6/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
TDP1 Q9NUW8 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 4/20 0.48
TP53 P04637 2/20 0.48
HSP90AA1 P07900 1/20 0.48
ADAM17 P78536 1/20 0.48
ALDH1A1 P00352 5/20 0.47
CCR6 P51684 2/20 0.47
AGTR1 P30556 1/20 0.47

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
SCHEMBL3045614 0.91 MEN1 (0.52) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL25645075 0.85 GAA (0.44) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3046030 0.84 BIRC5 (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6416845 0.84 BIRC5 (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL3046026 0.84 BIRC5 (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6434942 0.80 ALDH1A1 (0.44) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6434947 0.80 ALDH1A1 (0.44) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL13997156 0.76 KMT2A (0.56) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6414202 0.76 MEN1 (0.47) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6414209 0.76 MEN1 (0.47) KMT2AMEN1MAPTKDM4EHTT

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-2023111473-A1 COLOURIMETRIC DETECTION SYSTEM FOR DETECTING CHEMICAL COMPOUNDS USING A COLOUR INDICATOR OF THE HYDRAZONE FAMILY COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-22 WO disclosed