SCHEMBL4043869

SCHEMBL4043869

CCCC(NC(=O)Oc1cc2cc(OC)ccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CG P48736 2/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 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
SCHEMBL4047148 0.93 CHRNB2 (0.39) KCNQ1CHRNB2CHRNA7CHRNA4LMNA
SCHEMBL4043537 0.93 PIK3CG (0.37) KCNQ1CHRNB2CHRNA7CHRNA4LMNA
SCHEMBL4041999 0.92 HSD17B10 (0.36) LMNAALDH1A1HSD17B10ELOVL6
SCHEMBL4047814 0.91 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4LMNAKMT2A
SCHEMBL4049254 0.91 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4KMT2AALDH1A1
SCHEMBL4043432 0.90 KCNQ1 (0.38) KCNQ1CHRNB2CHRNA7CHRNA4LMNA
SCHEMBL4043383 0.89 TAS1R3 (0.35) KCNQ1ALDH1A1TAS1R3TAS1R1ELOVL6
SCHEMBL4042533 0.88 CTSK (0.40)
SCHEMBL4042524 0.88 CHRNA7 (0.37) KCNQ1CHRNB2CHRNA7CHRNA4LMNA
SCHEMBL4044034 0.86 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4KMT2AALDH1A1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed