SCHEMBL11684625

SCHEMBL11684625

Nc1cc(Cl)ccc1Cl.O=S(=O)=Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP3 Q9H4L4 2/20 0.43
▸ SENP2 Q9HC62 2/20 0.43
▸ SENP1 Q9P0U3 2/20 0.43
▸ SUMO2 P61956 1/20 0.43
▸ SUMO1 P63165 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTPN11 Q06124 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ FLT1 P17948 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL11682158 0.86 TSHR (0.46) SENP2SUMO2SUMO1SENP7TSHR
SCHEMBL11683452 0.83 TP53 (0.41) TSHRTP53KMT2AHTR3EHTR3B
SCHEMBL11685849 0.82 TSHR (0.45) TSHRTP53ALDH1A1TDP1HSD17B10
SCHEMBL11682328 0.81 TP53 (0.44) SENP3SENP2SENP1SUMO2SUMO1
Aniline SCHEMBL11682873 0.79 TSHR (0.56) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11684850 0.78 TP53 (0.41) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11683198 0.78 TP53 (0.41) TSHRTP53ALDH1A1HSD17B10CA1
SCHEMBL11684152 0.78 TSHR (0.42) TSHRTP53ALDH1A1TDP1HSD17B10
O-Tolylamine SCHEMBL11685894 0.77 SENP3 (0.47) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11684034 0.75 ALDH1A1 (0.39) TSHRTP53ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4060521-A POLYAMIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 — — US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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