SCHEMBL10833802

SCHEMBL10833802

C=CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL10664581 0.93 TSHR (0.45) CYP3A4THRBALDH1A1TSHRHSD17B10
SCHEMBL10506561 0.88 GAA (0.50) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL10506227 0.85 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRHSD17B10RXFP1
Sulfometuron Methyl SCHEMBL27545620 0.85 GAA (0.50) THRBHSD17B10LMNAKDM4ENPC1
Sulfometuron Methyl SCHEMBL9137833 0.85 GAA (0.50) THRBHSD17B10LMNAKDM4ENPC1
Sulfometuron Methyl SCHEMBL54998 0.85 GAA (0.50) THRBHSD17B10LMNAKDM4ENPC1
SCHEMBL10506794 0.84 LMNA (0.44) THRBALDH1A1TSHRLMNAKDM4E
SCHEMBL10665567 0.84 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL11069586 0.84 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
Sulfometuron Methyl SCHEMBL15524982 0.84 GAA (0.49) THRBHSD17B10KDM4ENPC1MAPT

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
US-4592978-A Herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-03 US claimed