SCHEMBL10568364

SCHEMBL10568364

COc1nc(C)nc(N(C(N)=NN(C)C)S(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PGR P06401 1/20 0.34
HSD11B1 P28845 4/20 0.33
CCR4 P51679 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL10914176 0.86 MEN1 (0.56) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10867587 0.84 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10918634 0.84 MEN1 (0.34) MEN1KMT2A
SCHEMBL10867034 0.83 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10498917 0.83 KDM4E (0.54) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10563619 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL10920467 0.76 KMT2A (0.42) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL9585742 0.75 MEN1 (0.34) MEN1KMT2A
SCHEMBL9478884 0.74 TSHR (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9735397 0.74 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2

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-4802910-A Herbicidal acylated sulphonylguanidines BAYER AKTIENGESELLSCHAFT (DE) 1989-02-07 US disclosed