SCHEMBL3467243

SCHEMBL3467243

CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(C(F)(F)F)c3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.52
SCD O00767 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
AKT1 P31749 2/20 0.47
IRS1 P35568 2/20 0.47
GAB1 Q13480 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CA2 P00918 2/20 0.47
GGT1 P19440 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.45
GPR52 Q9Y2T5 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3468416 0.90 P2RY1 (0.59) P2RY1MEN1KMT2AAKT1IRS1
SCHEMBL3467612 0.84 MEN1 (0.67) P2RY1SCDMEN1KMT2AALDH1A1
SCHEMBL3467605 0.84 ALDH1A1 (0.57) P2RY1SCDMEN1KMT2AAKT1
SCHEMBL3467499 0.84 ALDH1A1 (0.58) P2RY1SCDMEN1KMT2AALDH1A1
SCHEMBL3468422 0.83 ALDH1A1 (0.58) MEN1KMT2AAKT1IRS1GAB1
SCHEMBL3467458 0.83 ALDH1A1 (0.61) P2RY1MEN1KMT2AALDH1A1MAPT
SCHEMBL3467858 0.83 SCD (0.55) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3466859 0.81 MEN1 (0.65) P2RY1SCDMEN1KMT2AALDH1A1
SCHEMBL3467123 0.81 MEN1 (0.47) P2RY1SCDMEN1KMT2AAKT1
SCHEMBL3467235 0.79 ALDH1A1 (0.49) P2RY1SCDMEN1KMT2AALDH1A1

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed