SCHEMBL11468330

SCHEMBL11468330

COC(=O)C(C)Oc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 6/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
HTT P42858 2/20 0.56
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 3/20 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
SCHEMBL829972 0.93 KMT2A (0.64) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11158321 0.89 MEN1 (0.64) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11160498 0.85 MAPT (0.68) MEN1KMT2ALMNAMAPTAKR1C3
SCHEMBL11165365 0.81 MAPT (0.54) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL16261887 0.81 HTR2A (0.59) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL28577071 0.81 LMNA (0.59) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL829966 0.81 LMNA (0.59) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL830301 0.80 LMNA (0.56) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11158124 0.80 KMT2A (0.52) MEN1KMT2ALMNAMAPTAKR1C3
SCHEMBL11162808 0.79 AKR1C3 (0.67) MEN1KMT2ALMNAMAPTRAB9A

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
EP-0013144-A1 Substituted diphenylamine derivatives, compositions and herbicidal uses thereof, and processes for their preparation ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP claimed