SCHEMBL7764296

SCHEMBL7764296

CCOC(=O)c1cc([N+](=O)[O-])sc1N=Nc1ccc(N(CC)c2ccc(S(=O)(=O)F)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 4/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL7764305 0.90 LMNA (0.37) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL7772369 0.84 LMNA (0.36) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL8724005 0.83 LMNA (0.39) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL8724009 0.83 LMNA (0.39) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL8725193 0.81 LMNA (0.38) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL7764293 0.79 LMNA (0.42) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL7764302 0.77 LMNA (0.40) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL7772368 0.76 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL7768401 0.72 MAOB (0.33) SMN1; SMN2GAARAB9AL3MBTL1MAPT
SCHEMBL10119042 0.71 ALDH1A1 (0.41) ALDH1A1LMNASMN1; 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