SCHEMBL10631920

SCHEMBL10631920

NCCCCC(CN)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
GSR P00390 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
BLM P54132 2/20 0.38
PMP22 Q01453 1/20 0.38
CPB2 Q96IY4 4/20 0.35
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NFKB1 P19838 2/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2D6 P10635 1/20 0.31
FOLH1 Q04609 1/20 0.31
DNM1 Q05193 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
SCHEMBL19066306 0.93 APP (0.42) APPGSRRNPEPBLMPMP22
SCHEMBL28586829 0.86 APP (0.41) APPGSRRNPEPBLMPMP22
SCHEMBL1638487 0.83 LMNA (0.38) APPBLMLMNASLC6A6CYP2C19
SCHEMBL1566750 0.83 TP53 (0.53) TP53GNAI3GNAO1GNAI1
SCHEMBL4895410 0.81 LMNA (0.36) APPBLMLMNASLC6A6CYP2C19
SCHEMBL20495909 0.81 TP53 (0.52) TP53GNAI3GNAO1GNAI1
SCHEMBL21357040 0.81 TP53 (0.52) TP53GNAI3GNAO1GNAI1
SCHEMBL11305164 0.81 TP53 (0.52) TP53GNAI3GNAO1GNAI1
SCHEMBL20495930 0.81 TP53 (0.52) TP53GNAI3GNAO1GNAI1
SCHEMBL20495920 0.81 TP53 (0.52) TP53GNAI3GNAO1GNAI1

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
US-4728542-A POLYURETHANES; WATER VAPOR PERMEABLE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 US disclosed