SCHEMBL1936044

SCHEMBL1936044

CN(C)C=Cc1cnc(C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.37
KDM4E B2RXH2 7/20 0.36
HCAR2 Q8TDS4 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
ALDH1A1 P00352 6/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL1936043 1.00 P4HTM (0.37) P4HTMKDM4EHCAR2NAPRTP4HA1
SCHEMBL2644292 0.82 MAPK1 (0.42) KDM4EALDH1A1HSD17B10L3MBTL1MAPK1
SCHEMBL2644296 0.82 MAPK1 (0.42) KDM4EALDH1A1HSD17B10L3MBTL1MAPK1
SCHEMBL990534 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL990536 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6822704 0.72 ALDH1A1 (0.46) P4HTMKDM4EHCAR2NAPRTALDH1A1
SCHEMBL6822705 0.72 ALDH1A1 (0.46) P4HTMKDM4EHCAR2NAPRTALDH1A1
SCHEMBL19556490 0.72 P4HTM (0.37) P4HTMKDM4EHCAR2NAPRTP4HA1
SCHEMBL19556491 0.72 P4HTM (0.37) P4HTMKDM4EHCAR2NAPRTP4HA1
SCHEMBL30112013 0.72 P4HTM (0.37) P4HTMKDM4EHCAR2NAPRTP4HA1

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
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP disclosed