SCHEMBL9729213

SCHEMBL9729213

CCOC(=O)c1cnn(C)c1S(=O)(=O)N(C(=N)NN)c1nc(C)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL9565721 0.87 TSHR (0.41) TSHRKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL3672158 0.84 KMT2A (0.38) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9565706 0.82 KMT2A (0.37) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9566133 0.79 KMT2A (0.48) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1535828 0.76 KMT2A (0.45) TSHRKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9061697 0.75 MAPT (0.38) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9729873 0.74 KMT2A (0.36) TSHRKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9729491 0.74 SMN1; SMN2 (0.37) TSHRKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9195352 0.72 GAA (0.44) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8465071 0.70 KMT2A (0.36) TSHRKMT2AMEN1SMN1; SMN2CYP1A2

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-5125960-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed