SCHEMBL30440912

SCHEMBL30440912

O=S(=O)(O)c1c(N=Nc2ccc(S(=O)(=O)O)c3ccccc23)ccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.74
CYP1A2 P05177 5/20 0.59
MPL P40238 3/20 0.52
CTRC Q99895 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATIC P31939 1/20 0.48
NSD2 O96028 2/20 0.46
POLB P06746 1/20 0.46
IDE P14735 1/20 0.46
DUSP3 P51452 1/20 0.46
CCR6 P51684 1/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 3/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2810714 1.00 CTRB1 (0.74) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL2810711 1.00 CTRB1 (0.74) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL3486861 0.86 CTRB1 (0.76) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL4423484 0.85 CTRB1 (1.00) CTRB1CYP1A2MPLCTRCMEN1
Lithium SCHEMBL31214932 0.82 CYP2D6 (0.51) CTRB1CYP1A2MPLCTRCTDP1
SCHEMBL5267969 0.82 SENP2 (0.50) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL5267972 0.82 SENP2 (0.50) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL6763835 0.82 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL5701120 0.82 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCMEN1
SCHEMBL30049470 0.82 CTRB1 (0.73) CTRB1CYP1A2MPLCTRCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4449102-A1 DETECTION SYSTEM FOR THE DETECTION OF (A) CHEMICAL COMPOUND(S) BASED ON DISTINCT PARTICLES IMPREGNATED WITH DISTINCT DETECTION INDICATORS Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2024-10-23 EP disclosed
WO-2023111474-A1 DETECTION SYSTEM FOR THE DETECTION OF (A) CHEMICAL COMPOUND(S) BASED ON DISTINCT PARTICLES IMPREGNATED WITH DISTINCT DETECTION INDICATORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-22 WO disclosed
WO-2023111475-A1 DETECTION SYSTEM SUITABLE FOR USE IN THE DETECTION OF CHEMICAL COMPOUNDS COMPRISING A DETECTION STRIP COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-22 WO disclosed