SCHEMBL5314937

SCHEMBL5314937

NCCNCCN.NCCNCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 1.00
CA6 P23280 5/20 1.00
CA7 P43166 5/20 1.00
CA9 Q16790 5/20 1.00
CA14 Q9ULX7 5/20 1.00
CA5B Q9Y2D0 5/20 1.00
MEN1 O00255 2/20 1.00
RECQL P46063 2/20 1.00
KMT2A Q03164 2/20 1.00
CA2 P00918 4/20 0.91
CA4 P22748 4/20 0.91
CA5A P35218 4/20 0.91
LMNA P02545 3/20 0.91
CA3 P07451 3/20 0.91
TDP1 Q9NUW8 3/20 0.91
ALOX15 P16050 3/20 0.91
CA1 P00915 2/20 0.91
ALDH1A1 P00352 1/20 0.91
TP53 P04637 1/20 0.91
KDM4E B2RXH2 1/20 0.83

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
SCHEMBL15381 1.00
SCHEMBL9858478 0.95 CA12 (0.91) CA12CA6CA7CA9CA14
Ammonia Solution, Strong SCHEMBL902204 0.95
SCHEMBL181401 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342018 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25340653 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL15797 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342922 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL3840289 0.95 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL15439 0.95 CA12 (1.00) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108686717-A A kind of preparation method that complex is modified montmorillonite used 南京理工大学 2018-10-23 CN claimed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed
CN-1114303-A Process for pure grade acrylic acid ROHM & HAAS (US) 1996-01-03 CN disclosed