SCHEMBL9753017

SCHEMBL9753017

CN(CCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)S(C)(=O)=O)cc1)c1nc2ccccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
GBA1 P04062 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.38
CDK2 P24941 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 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
Hydrochloric Acid SCHEMBL9753453 0.93 TSHR (0.46) TSHRSMN1; SMN2USP2NOD2NOD1
SCHEMBL9696959 0.92 TSHR (0.47) TSHRSMN1; SMN2USP2NOD2NOD1
Hydrochloric Acid SCHEMBL9697582 0.91 TSHR (0.46) TSHRSMN1; SMN2USP2NOD2NOD1
SCHEMBL3360368 0.86 TSHR (0.48) TSHRSMN1; SMN2USP2NOD2NOD1
Hydrochloric Acid SCHEMBL9697076 0.85 TSHR (0.47) TSHRSMN1; SMN2USP2NOD2NOD1
Hydrochloric Acid SCHEMBL9753091 0.82 NOD2 (0.39) TSHRSMN1; SMN2NOD2NOD1GBA1
SCHEMBL9732994 0.75 NPC1 (0.46) TSHRSMN1; SMN2USP2MAPTLMNA
Hydrochloric Acid SCHEMBL9733674 0.74 NPC1 (0.46) TSHRSMN1; SMN2USP2MAPTLMNA
SCHEMBL9733161 0.74 USP2 (0.40) TSHRSMN1; SMN2USP2HDAC1CASP1
SCHEMBL9697916 0.74 NOD2 (0.42) TSHRSMN1; SMN2NOD2NOD1MAPT

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-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed