SCHEMBL9696959

SCHEMBL9696959

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
NOD2 Q9HC29 2/20 0.41
NOD1 Q9Y239 2/20 0.41
CDK2 P24941 1/20 0.40
GBA1 P04062 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KDM1A O60341 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 1/20 0.36
HTT P42858 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 SCHEMBL9697582 0.99 TSHR (0.46) TSHRSMN1; SMN2USP2NOD2NOD1
SCHEMBL3360368 0.94 TSHR (0.48) TSHRSMN1; SMN2USP2NOD2NOD1
Hydrochloric Acid SCHEMBL9697076 0.93 TSHR (0.47) TSHRSMN1; SMN2USP2NOD2NOD1
SCHEMBL9753017 0.92 TSHR (0.45) TSHRSMN1; SMN2USP2NOD2NOD1
Hydrochloric Acid SCHEMBL9753453 0.85 TSHR (0.46) TSHRSMN1; SMN2USP2NOD2NOD1
SCHEMBL9732994 0.83 NPC1 (0.46) TSHRSMN1; SMN2USP2MAPTLMNA
SCHEMBL9697916 0.82 NOD2 (0.42) TSHRSMN1; SMN2NOD2NOD1MAPT
SCHEMBL9733161 0.82 USP2 (0.40) TSHRSMN1; SMN2USP2KDM1ACYP1A2
Hydrochloric Acid SCHEMBL9733674 0.82 NPC1 (0.46) TSHRSMN1; SMN2USP2MAPTLMNA
SCHEMBL9695933 0.82 TSHR (0.48) TSHRSMN1; SMN2USP2NOD2NOD1

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
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US claimed
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed