SCHEMBL9670534

SCHEMBL9670534

CC(C)S(=O)(=O)NCC[C@@H]1CCCC[C@H]1C(=S)N(C)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
ADRB3 P13945 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIA2 P42262 1/20 0.32
TBXAS1 P24557 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL9672149 0.89 CYP3A4 (0.36) NPY5RADRB3SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9672246 0.88 ALDH1A1 (0.38) ADRB3SMN1; SMN2NOTUMALDH1A1TSHR
SCHEMBL9672110 0.83 LMNA (0.37) NPY5RSMN1; SMN2NOTUMALDH1A1TSHR
SCHEMBL9672365 0.81 GLB1 (0.43) HDAC6
SCHEMBL9671642 0.80 NOTUM (0.37) SMN1; SMN2NOTUMALDH1A1TSHRCYP3A4
SCHEMBL9670596 0.74 CYP3A4 (0.37) NPY5RSMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL9800240 0.73 CYP11B2 (0.40) SMN1; SMN2NOTUMALDH1A1TSHRCYP3A4
SCHEMBL9673220 0.73 LMNA (0.36) NPY5RSMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL9217487 0.67 NPY5R (0.34) NPY5RSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL9212001 0.67 NPY5R (0.34) NPY5RSMN1; SMN2ALDH1A1TSHRGAA

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
EP-0510028-A1 THIOFORMAMIDE DERIVATIVES. RHONE POULENC RORER SA (FR) 1992-10-28 EP disclosed