SCHEMBL8689441

SCHEMBL8689441

O=[N+]([O-])c1cc(O)c(N=Nc2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
CTSB P07858 2/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
IDO1 P14902 2/20 0.45
PTPN11 Q06124 1/20 0.42
MPL P40238 2/20 0.42
HPRT1 P00492 1/20 0.42
CASP6 P55212 1/20 0.42
PRMT1 Q99873 1/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL28542319 0.99 THRB (0.48) THRBCTSBMEN1KMT2ARAB9A
SCHEMBL10867812 0.79 MEN1 (0.46) THRBCTSBMEN1KMT2ARAB9A
SCHEMBL28871724 0.79 HPRT1 (0.39) CTSBIDO1HPRT1MAPTLMNA
SCHEMBL6668655 0.77 THRB (0.61) THRBMEN1KMT2ARAB9ANPC1
SCHEMBL6668807 0.77 THRB (0.61) THRBMEN1KMT2ARAB9ANPC1
SCHEMBL29818736 0.77 CASP6 (0.61) THRBMEN1KMT2ARAB9ANPC1
SCHEMBL3183998 0.77 CASP6 (0.61) THRBMEN1KMT2ARAB9ANPC1
SCHEMBL5954066 0.77 GPR35 (0.50) THRBCTSBMEN1KMT2ARAB9A
SCHEMBL29818678 0.76 CASP6 (0.60) THRBMEN1KMT2ARAB9ANPC1
SCHEMBL6666444 0.76 THRB (0.59) THRBMEN1KMT2ARAB9ANPC1

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-1998039312-A1 STABLE ARENEDIAZONIUM SALTS, A PROCESS FOR THE PREPARATION THEREOF AND THE USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1998-09-11 WO disclosed