SCHEMBL16256558

SCHEMBL16256558

Cn1ncc(C(=O)O)c1CF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.45
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4757065 0.83 NR4A3 (0.58) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL27843124 0.79 NR4A3 (0.46) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL21960891 0.79 NR4A3 (0.43) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL31053372 0.79 NR4A3 (0.43) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL30322820 0.78 NR4A3 (0.40) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL29224393 0.78 NR4A3 (0.40) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL22534352 0.76 NR4A3 (0.51) NR4A3KDM4EALDH1A1GAAHSD17B10
SCHEMBL31053389 0.76 NR4A3 (0.41) NR4A3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL14973140 0.75 SMN1; SMN2 (0.42) NR4A3KDM4EALDH1A1SMN1; SMN2KDM5A
SCHEMBL15771413 0.75 KDM4E (0.40) NR4A3KDM4EALDH1A1TDP1L3MBTL1

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-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed