SCHEMBL9739611

SCHEMBL9739611

COC(N)=Nc1nc(Cl)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
MPO P05164 3/20 0.34
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
LMNA P02545 3/20 0.34
AHR P35869 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RAD52 P43351 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33

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
SCHEMBL9741191 0.90 CRHBP (0.44) CRHBPCRHR2LMNAAHRHTT
SCHEMBL9741157 0.88 ALDH1A1 (0.39) CRHBPCRHR2F2PRSS1PRSS2
SCHEMBL9739709 0.78 CRHBP (0.54) CRHBPCRHR2LMNAAHRHTT
SCHEMBL9740218 0.77 L3MBTL1 (0.44) CRHBPCRHR2MPOLMNAAHR
SCHEMBL9749087 0.73 MEN1 (0.35) KMT2A
SCHEMBL9739737 0.72 CRHBP (0.48) CRHBPCRHR2F2LMNAAHR
SCHEMBL9741160 0.70 HCRTR1 (0.33) CRHBPCRHR2LMNAAHRHTT
SCHEMBL12553942 0.64 ATP4A (0.38) ATP4AATP4B
SCHEMBL11300906 0.61 KDM4E (0.49) F2KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9621983 0.60 CRHBP (0.59) CRHBPCRHR2LMNAAHRHTT

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-5126454-A PROCESS FOR THE PREPARATION OF SULPHONYLISOUREAS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed