SCHEMBL9733161

SCHEMBL9733161

CN(CCCSc1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HDAC1 Q13547 2/20 0.35
NR3C2 P08235 1/20 0.35
TP53 P04637 1/20 0.35
HTR7 P34969 1/20 0.34
GRM2 Q14416 4/20 0.34
TSHR P16473 2/20 0.34
HDAC6 Q9UBN7 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 SCHEMBL9733258 0.99 USP2 (0.39) USP2SMN1; SMN2KDM1ACYP1A2CYP2D6
SCHEMBL9732994 0.85 NPC1 (0.46) USP2SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL9733674 0.84 NPC1 (0.46) USP2SMN1; SMN2TP53TSHR
SCHEMBL9696959 0.82 TSHR (0.47) USP2SMN1; SMN2KDM1ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9697582 0.81 TSHR (0.46) USP2SMN1; SMN2KDM1ACYP1A2CYP2D6
SCHEMBL3360368 0.80 TSHR (0.48) USP2SMN1; SMN2KDM1ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9697076 0.79 TSHR (0.47) USP2SMN1; SMN2KDM1ACYP1A2CYP2D6
SCHEMBL9696030 0.78 TNKS (0.42) USP2SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL9753089 0.75 SMN1; SMN2 (0.49) USP2SMN1; SMN2HDAC1TSHRHDAC6
SCHEMBL9753017 0.74 TSHR (0.45) USP2SMN1; SMN2CASP1HDAC1TSHR

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-5104892-A N-heteroalkyl substitutes 1-aryloxy-2-propanolamine AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-14 US claimed
US-5104892-A N-heteroalkyl substitutes 1-aryloxy-2-propanolamine AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-14 US disclosed