SCHEMBL11706131

SCHEMBL11706131

CC(C)(C)NS(=O)(=O)Nc1ncn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.42
ALPL P05186 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11706785 0.71 TSHR (0.44) KMT2AMEN1TSHRALPLKDM4E
SCHEMBL20099441 0.71 ALPL (0.45) KMT2AMEN1ALPLNPC1RAB9A
SCHEMBL2592304 0.71 TSHR (0.46) KMT2AMEN1TSHRALPLNPC1
SCHEMBL2592305 0.71 TSHR (0.50) KMT2AMEN1TSHRALPLKDM4E
Hydrochloric Acid SCHEMBL1430120 0.62
SCHEMBL10486710 0.62 MAPT (0.34) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4491328 0.61 KEAP1 (0.54) KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL13670531 0.59
SCHEMBL1998704 0.59
SCHEMBL13141234 0.58 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4

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-4013448-A HERBICIDES MONSANTO COMPANY (US) 1977-03-22 US disclosed