SCHEMBL9697935

SCHEMBL9697935

CN(CCN(C)C(=O)c1ccc(NS(C)(=O)=O)cc1)Cc1nc2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.47
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
NOD1 Q9Y239 2/20 0.44
NOD2 Q9HC29 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TNKS O95271 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 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
Hydrochloric Acid SCHEMBL9697558 0.99 SMN1; SMN2 (0.50) SMN1; SMN2USP2ALDH1A1ITGB3ITGAV
SCHEMBL9696030 0.84 TNKS (0.42) SMN1; SMN2USP2ALDH1A1NOD1NOD2
SCHEMBL9695958 0.82 TSHR (0.60) SMN1; SMN2USP2ALDH1A1NOD1NOD2
SCHEMBL9697931 0.74 NR3C2 (0.44) MEN1KMT2AHDAC6
SCHEMBL6868621 0.71 SMN1; SMN2 (0.58) SMN1; SMN2USP2ALDH1A1NPC1RAB9A
SCHEMBL5610013 0.71 SMN1; SMN2 (0.68) SMN1; SMN2USP2ALDH1A1NPC1RAB9A
SCHEMBL9695968 0.69 SMN1; SMN2 (0.56) SMN1; SMN2USP2ALDH1A1NPC1RAB9A
SCHEMBL10644455 0.69 MCHR1 (0.55) ALDH1A1TSHRHDAC1HDAC6
SCHEMBL5608402 0.66 SMN1; SMN2 (0.61) SMN1; SMN2USP2ALDH1A1NPC1RAB9A
SCHEMBL9695933 0.66 TSHR (0.48) SMN1; SMN2USP2ALDH1A1NOD1NOD2

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 4 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
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO 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