SCHEMBL9696030

SCHEMBL9696030

CN(CCN(C)c1nc2ccccc2n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR3C2 P08235 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
NOD1 Q9Y239 2/20 0.40
NOD2 Q9HC29 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TNF P01375 2/20 0.39
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KLK5 Q9Y337 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9697935 0.84 SMN1; SMN2 (0.51) TNKSHDAC6SMN1; SMN2USP2NOD1
Hydrochloric Acid SCHEMBL9697558 0.83 SMN1; SMN2 (0.50) TNKSHDAC6SMN1; SMN2USP2NOD1
SCHEMBL3360368 0.82 TSHR (0.48) NR3C2SMN1; SMN2USP2NOD1NOD2
Hydrochloric Acid SCHEMBL9697076 0.81 TSHR (0.47) NR3C2SMN1; SMN2USP2NOD1NOD2
SCHEMBL9697931 0.79 NR3C2 (0.44) HDAC6NR3C2HPGDCYP1A2CYP2D6
SCHEMBL9732994 0.79 NPC1 (0.46) SMN1; SMN2USP2NPC1RAB9ATP53
SCHEMBL9696959 0.78 TSHR (0.47) SMN1; SMN2USP2NOD1NOD2MAPT
Hydrochloric Acid SCHEMBL9733674 0.78 NPC1 (0.46) SMN1; SMN2USP2NPC1RAB9ATP53
SCHEMBL9733161 0.78 USP2 (0.40) HDAC6NR3C2SMN1; SMN2USP2TP53
Hydrochloric Acid SCHEMBL9697582 0.77 TSHR (0.46) SMN1; SMN2USP2NOD1NOD2MAPT

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