SCHEMBL4035135

SCHEMBL4035135

COc1ccc(S(=O)(=O)N2CCNC(C(=O)N(CC(C)c3ccccc3)C(=O)c3ccccc3)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BACE1 P56817 1/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CHRM5 P08912 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
HSD11B1 P28845 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
SCHEMBL4032869 0.69 POLB (0.46) POLBSMN1; SMN2TSHRUSP2MAPT
SCHEMBL1385963 0.67 KMT2A (0.43) POLBSMN1; SMN2NPSR1TSHRUSP2
SCHEMBL26673580 0.65 ALDH1A1 (0.49) SMN1; SMN2CYP2C19MEN1KMT2ALMNA
SCHEMBL4169902 0.64 GPBAR1 (0.69) POLBSMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL31350913 0.64 RXFP1 (0.71) POLBSMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4180101 0.64 GPBAR1 (0.73) POLBSMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4187616 0.62 POLB (0.52) POLBSMN1; SMN2TSHRMAPTMEN1
SCHEMBL5085809 0.62 TSHR (0.54) POLBSMN1; SMN2TSHRMAPTMEN1
SCHEMBL3830421 0.62 GPBAR1 (0.90) POLBSMN1; SMN2CYP3A4CYP2C19NPSR1
SCHEMBL4184681 0.62 GPBAR1 (0.90) POLBSMN1; SMN2CYP3A4CYP2C19NPSR1

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed