SCHEMBL7764305

SCHEMBL7764305

CCCc1cc(N=Nc2sc([N+](=O)[O-])cc2C(=O)OCC)ccc1N(CC)c1ccc(S(=O)(=O)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7764296 0.90 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7772369 0.85 LMNA (0.36) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8724005 0.81 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8724009 0.81 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL8725193 0.80 LMNA (0.38) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7764293 0.77 LMNA (0.42) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7764302 0.77 LMNA (0.40) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7772368 0.73 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2POLBGAA
SCHEMBL7768401 0.70 MAOB (0.33) SMN1; SMN2GAARAB9AL3MBTL1MAPT
SCHEMBL10119042 0.69 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2POLBGAA

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
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed