SCHEMBL9735397

SCHEMBL9735397

COc1cc(C)nc(N(C(N)=NN)S(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.35

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
SCHEMBL10867034 0.92 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ETSHRMEN1KMT2A
SCHEMBL9591445 0.90 KDM4E (0.58) SMN1; SMN2KDM4EMEN1KMT2ACYP1A2
SCHEMBL9741957 0.88 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ETSHRMEN1KMT2A
SCHEMBL10867587 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ETSHRMEN1KMT2A
SCHEMBL10498917 0.81 KDM4E (0.54) SMN1; SMN2KDM4EMEN1KMT2ACYP1A2
SCHEMBL9586844 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ETSHRMEN1KMT2A
SCHEMBL9478178 0.77 KDM4E (0.50) SMN1; SMN2KDM4EMEN1KMT2ACYP1A2
SCHEMBL9743094 0.77 CA1 (0.47) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL9588686 0.76 CA1 (0.48) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL9740917 0.75 SMN1; SMN2 (0.38) SMN1; SMN2TSHRMEN1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US claimed
US-5091529-A HERBICIDAL SUBSTITUTED SULPHONYLAMINOAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-5021082-A Pre=and postemergent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-4941912-A Herbicidal substituted sulphonylaminoazoles BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed