SCHEMBL3290937

SCHEMBL3290937

O=C(Cl)OCc1ccc2oncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.34
CHRNA7 P36544 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SYK P43405 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL9979773 0.85 CYP3A4 (0.49) ALDH1A1LMNATP53TRPM5CHRNA7
SCHEMBL115421 0.85 LMNA (0.40) LMNATP53TRPM5CHRNA7CYP3A4
SCHEMBL9976426 0.83 LMNA (0.39) ALDH1A1LMNATP53TRPM5CHRNA7
SCHEMBL20079989 0.76 LMNA (0.49) LMNATP53TRPM5SYKKDM4E
SCHEMBL1068060 0.76 LMNA (0.33) LMNATP53TRPM5CHRNA7
SCHEMBL13500632 0.75 GAA (0.50) ALDH1A1LMNAKDM4EHSD17B10KMT2A
SCHEMBL27304325 0.74 TRPM5 (0.38) TRPM5CHRNA7CA2CA12CA3
SCHEMBL13500589 0.73 NPC1 (0.49) ALDH1A1LMNATP53SYKKDM4E
SCHEMBL26548079 0.73 TRPM5 (0.35) TRPM5CHRNA7CYP3A4KMT2A
SCHEMBL8914255 0.72 TRPM5 (0.34) LMNATP53TRPM5CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed