SCHEMBL19919092

SCHEMBL19919092

Cc1nc(-c2cc(N)c3ccccc3c2)oc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IKBKB O14920 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
NCF1 P14598 1/20 0.38
HSD17B10 Q99714 4/20 0.37
GLA P06280 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL2185360 0.81 GAA (0.46) GAAKDM4EHPGDL3MBTL1MEN1
SCHEMBL2789941 0.78 GAA (0.73) GAAKDM4EHPGDIKBKBKMT2A
Hydrochloric Acid SCHEMBL11623044 0.77 GAA (0.71) GAAKDM4EHPGDIKBKBKMT2A
SCHEMBL5013672 0.71 GAA (0.68) GAAKDM4EHPGDIKBKBALDH1A1
SCHEMBL7894439 0.71 GAA (0.40) GAAKDM4EIKBKBALDH1A1LMNA
SCHEMBL31301354 0.70 GAA (0.58) GAAKDM4EHPGDIKBKBMEN1
SCHEMBL2186221 0.70 ALDH1A1 (0.52) GAAKDM4EHPGDL3MBTL1MEN1
SCHEMBL20646882 0.69 GAA (0.69) GAAKDM4EIKBKBALDH1A1LMNA
SCHEMBL17613621 0.69 ACMSD (0.66) GAAKDM4EHPGDMEN1KMT2A
SCHEMBL2792622 0.68 IKBKB (0.57) GAAKDM4EHPGDIKBKBMEN1

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-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed