SCHEMBL7764302

SCHEMBL7764302

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 2/20 0.34
CRHBP P24387 2/20 0.34
RAB9A P51151 2/20 0.34
CRHR2 Q13324 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 5/20 0.34
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 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
NPSR1 Q6W5P4 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
SCHEMBL7772368 0.91 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL7764293 0.89 LMNA (0.42) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL8724009 0.79 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL8724005 0.79 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL7764296 0.77 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL8725193 0.77 LMNA (0.38) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL7764305 0.77 LMNA (0.37) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL7772369 0.73 LMNA (0.36) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL10119042 0.68 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2POLBCRHBP
SCHEMBL7768401 0.68 MAOB (0.33) SMN1; SMN2RAB9AGAAMAPTL3MBTL1

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