SCHEMBL8488406

SCHEMBL8488406

O=[N+]([O-])c1ccc(OCC2CCCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
DRD4 P21917 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 2/20 0.42
HCAR3 P49019 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
HSPB1 P04792 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
SCHEMBL10545783 0.96 DRD4 (0.48) CHEK1DRD4KDM4EMEN1MAPT
SCHEMBL3052957 0.88 DRD4 (0.49) CHEK1DRD4MAPTKMT2ALMNA
SCHEMBL3052249 0.87 SMN1; SMN2 (0.55) CHEK1DRD4MAPTKMT2ALMNA
SCHEMBL3185266 0.86 DRD4 (0.57) CHEK1DRD4MAPTALDH1A1SMN1; SMN2
SCHEMBL30121999 0.84 MAPT (0.51) DRD4KDM4EMEN1MAPTKMT2A
SCHEMBL3701823 0.84 MAPT (0.51) DRD4KDM4EMEN1MAPTKMT2A
SCHEMBL10552656 0.83 ALDH1A1 (0.44) CHEK1DRD4MEN1MAPTKMT2A
SCHEMBL15260163 0.83 DRD4 (0.47) DRD4KDM4EMAPTKMT2ALMNA
SCHEMBL1136179 0.83 TSHR (0.44) CHEK1MEN1MAPTKMT2AALDH1A1
SCHEMBL10547312 0.83 TDP1 (0.48) DRD4KDM4EMAPTKMT2AALDH1A1

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-1999065891-A1 NOVEL 2,4-DIAMINOPHENOL DERIVATIVES AND THE USE THEREOF HANS SCHWARZKOPF GMBH & CO. KG (DE) 1999-12-23 WO disclosed