SCHEMBL9735832

SCHEMBL9735832

CCOc1nc(NN)nc(OCC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 2/20 0.53
POLB P06746 1/20 0.49
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
MAT2A P31153 1/20 0.35
MAPK1 P28482 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
SCHEMBL10618087 0.88 MEN1 (0.47) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL582039 0.80 MEN1 (0.52) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL9844294 0.79 MEN1 (0.55) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL11729415 0.78 CYP1A2 (0.41) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL11616177 0.75 L3MBTL1 (0.40) MEN1KMT2ACYP1A2PDE4BPDE4D
SCHEMBL6342292 0.73 GAA (0.44) MEN1KMT2ACYP1A2POLBCA1
SCHEMBL1576984 0.73 MEN1 (0.43) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL1577386 0.71 MEN1 (0.47) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL20202489 0.70 MEN1 (0.45) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL10891276 0.70 MAPT (0.62) MEN1KMT2ACYP1A2POLBPDE4B

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-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
EP-0419831-A2 Substituted sulfonylaminoazoles BAYER AG (DE) 1991-04-03 EP disclosed
US-4941912-A Herbicidal substituted sulphonylaminoazoles BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed