SCHEMBL27680338

SCHEMBL27680338

Nc1ccc(-n2cc(C(=O)O)cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.72
HPGDS O60760 1/20 0.72
EGLN1 Q9GZT9 5/20 0.50
HSD11B1 P28845 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALKBH1 Q13686 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL10139147 0.86 MAP4K4 (0.56) ALKBH2HPGDSHSD11B1NPC1MAPT
SCHEMBL70281 0.84 ALKBH2 (1.00) ALKBH2HPGDSEGLN1NPC1MAPT
SCHEMBL2856651 0.83 ALKBH2 (0.72) ALKBH2HPGDSEGLN1HSD11B1NPC1
SCHEMBL2860260 0.83 ALKBH2 (0.72) ALKBH2HPGDSEGLN1NPC1MAPT
SCHEMBL2850367 0.83 ALKBH2 (0.72) ALKBH2HPGDSEGLN1HSD11B1NPC1
SCHEMBL2852078 0.83 ALKBH2 (0.72) ALKBH2HPGDSEGLN1HSD11B1NPC1
SCHEMBL28105982 0.82 ALKBH2 (0.66) ALKBH2HPGDSEGLN1HSD11B1ALKBH1
SCHEMBL15331859 0.81 ALKBH2 (0.70) ALKBH2HPGDSEGLN1HSD11B1NPC1
Hydrochloric Acid SCHEMBL16467067 0.81 ALKBH2 (0.70) ALKBH2HPGDSEGLN1HSD11B1NPC1
SCHEMBL7322694 0.81 MAPKAPK2 (0.48) ALKBH2HPGDSNPC1MAPTHPGD

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
CN-1960976-A 4-carbox pyrazole derivates useful as anti-viral agents SMITHKLINE BEECHAM CORP (US) 2007-05-09 CN disclosed