SCHEMBL18255019

SCHEMBL18255019

CCOC(=O)c1ccc(NC2=NC(=N)/C(=N\O)N=C2N/N=C/c2c[nH]nc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 3/20 0.40
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL21610034 0.77 MAPT (0.52) CA12CA9MAPTMEN1KMT2A
SCHEMBL6451291 0.77 MAPT (0.52) CA12CA9MAPTMEN1KMT2A
SCHEMBL6451289 0.77 MAPT (0.52) CA12CA9MAPTMEN1KMT2A
SCHEMBL9176722 0.63 SMN1; SMN2 (0.72) MAPTMEN1KMT2ANPC1GBA1
SCHEMBL2921221 0.61 JAK2 (0.57) MAPTMEN1KMT2ANPC1KDM4E
Biphenyl SCHEMBL27937069 0.60 MEN1 (0.72) CA12CA9MAPTMEN1KMT2A
SCHEMBL12124929 0.60 RAB9A (0.69) CA12CA9MAPTMEN1KMT2A
SCHEMBL18764387 0.60 MAPT (0.85) MAPTMEN1KMT2ANPC1GBA1
SCHEMBL16453466 0.60 MEN1 (0.58) MAPTMEN1KMT2ANPC1GBA1
SCHEMBL24106782 0.59 MEN1 (0.70) CA12CA9MAPTMEN1KMT2A

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
WO-2016187046-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-11-24 WO disclosed