SCHEMBL17624124

SCHEMBL17624124

CCN1Cc2nc3n(c(=O)c2C1)CCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.44
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CFTR P13569 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
GOPC Q9HD26 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL17624388 0.81 MTHFD2 (0.48) MTHFD2ALDH1A1KDM4EHSD17B10BCHE
SCHEMBL19498216 0.77 MTHFD2 (0.44) MTHFD2ALDH1A1KDM4EHSD17B10BCHE
SCHEMBL11049965 0.69 SMN1; SMN2 (0.53) MTHFD2ALDH1A1KDM4EHSD17B10BCHE
SCHEMBL19504425 0.69 CYP1A2 (0.31) CYP1A2
SCHEMBL11449986 0.68 GAA (0.54) MTHFD2ALDH1A1KDM4EHSD17B10BCHE
SCHEMBL10860457 0.68 ALDH1A1 (0.54) MTHFD2ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL10856015 0.67 ALDH1A1 (0.55) MTHFD2ALDH1A1KDM4EHSD17B10TDP1
Hydrochloric Acid SCHEMBL10858250 0.67 ALDH1A1 (0.52) MTHFD2ALDH1A1KDM4EHSD17B10TDP1
Hydrochloric Acid SCHEMBL10856957 0.66 ALDH1A1 (0.54) MTHFD2ALDH1A1KDM4EHSD17B10TDP1
Hydrochloric Acid SCHEMBL11086720 0.65 SMN1; SMN2 (0.48) ALDH1A1KDM4EHSD17B10BCHEACHE

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-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed