SCHEMBL11513656

SCHEMBL11513656

CCOP(=S)(OCC)N(C(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR5 P51681 1/20 0.39
PSIP1 O75475 1/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NR1I2 O75469 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
Potassium Ion SCHEMBL11514816 0.84 LMNA (0.38) TDP1LMNAKDM4EALDH1A1CCR5
SCHEMBL11513509 0.81 TDP1 (0.42) TDP1LMNAKDM4EALDH1A1CCR5
SCHEMBL11512699 0.79 ESR1 (0.43) TDP1LMNAKDM4EALDH1A1PSIP1
SCHEMBL11511017 0.74 RAB9A (0.43) TDP1LMNAKDM4EALDH1A1PSIP1
SCHEMBL11025941 0.73 TSHR (0.31) TSHR
Potassium Ion SCHEMBL11512746 0.72 LMNA (0.40) TDP1LMNAKDM4EALDH1A1CCR5
SCHEMBL11595356 0.70
Potassium Ion SCHEMBL11511556 0.70 ESR1 (0.43) TDP1LMNAALDH1A1HTTESR1
SCHEMBL11511473 0.69 TP53 (0.30) TDP1
SCHEMBL11512197 0.69 THRB (0.48) LMNAKDM4EALDH1A1HTTHSD17B10

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-4161524-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4134979-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed