SCHEMBL2942968

SCHEMBL2942968

NCCCCN1C=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
NFKB1 P19838 1/20 0.32
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 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
SCHEMBL3385324 0.93
SCHEMBL11407357 0.84 HRH3 (0.32) SIGMAR1CA12CA1CA2CA3
SCHEMBL10813588 0.80 KEAP1 (0.34) SIGMAR1KEAP1SMN1; SMN2
SCHEMBL5174927 0.80 GNAI3 (0.35) SMN1; SMN2LMNA
SCHEMBL1685344 0.77
SCHEMBL7072086 0.77
Bromide SCHEMBL1920320 0.76
SCHEMBL15415736 0.74 LMNA (0.41) NFKB1SMN1; SMN2LMNATSHRBLM
SCHEMBL19599281 0.72
SCHEMBL4992871 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280843-B1 ELECTROACTIVE COMPLEX, ELECTROACTIVE PROBE AND PREPARATION METHOD BIO MERIEUX (FR) 2010-08-18 EP disclosed
US-20090095624-A1 Electroactive complex, electroactive probe and preparation method BIOMERIEUX (FR) 2009-04-16 US disclosed
US-20040209252-A1 Electroactive complex, electroactive probe and preparation method BIO MERIEUX (FR) 2004-10-21 US disclosed
EP-1280843-A1 ELECTROACTIVE COMPLEX, ELECTROACTIVE PROBE AND PREPARATION METHOD BIO MERIEUX (FR) 2003-02-05 EP disclosed
WO-2001081446-A1 ELECTROACTIVE COMPLEX, ELECTROACTIVE PROBE AND PREPARATION METHOD BIO MERIEUX (FR) 2001-11-01 WO disclosed