SCHEMBL31504557

SCHEMBL31504557

Cc1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.57
MAPK1 P28482 6/20 0.57
MAPK6 Q16659 5/20 0.57
MAPKAPK3 Q16644 4/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 3/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
DYRK1A Q13627 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
ITK Q08881 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL1145076 1.00 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL16308650 0.86 KIF11 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1144879 0.86 DYRK1A (0.52) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL31746650 0.86 DYRK1A (0.52) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL23559721 0.85 MAP2K4 (0.58) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL21509969 0.84 MAP2K4 (0.60) MAP2K4MAPK1MAPK6MAPKAPK3LMNA
SCHEMBL6618549 0.82 ADORA2A (0.43) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL14872686 0.82 MAPK1 (0.65) MAP2K4MAPK1MAPK6MAPKAPK3MAPK3
SCHEMBL1501529 0.82 KDM4E (0.55) MAP2K4KDM4EALDH1A1HPGDDYRK1A
SCHEMBL4403122 0.82 MAPK1 (0.43) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E

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-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 CN disclosed