SCHEMBL29040322

SCHEMBL29040322

CCOc1ccc(C(N)=NO)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
RECQL P46063 1/20 0.62
TSHR P16473 1/20 0.60
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PDE4A P27815 6/20 0.55
PDE4B Q07343 6/20 0.55
PDE4C Q08493 6/20 0.55
PDE4D Q08499 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
PRSS1 P07477 3/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL20116265 1.00 MAPK1 (0.68) MAPK1RECQLTSHRGAAMEN1
SCHEMBL3181108 0.92 MAPK1 (0.55) MAPK1RECQLTSHRGAAMEN1
SCHEMBL3181095 0.92 MAPK1 (0.55) MAPK1RECQLTSHRGAAMEN1
SCHEMBL4221613 0.88 RECQL (0.77) RECQLTSHRGAAMEN1KMT2A
SCHEMBL30506314 0.88 RECQL (0.77) RECQLTSHRGAAMEN1KMT2A
SCHEMBL1660322 0.88 RECQL (0.77) RECQLTSHRGAAMEN1KMT2A
SCHEMBL30506235 0.81 RECQL (0.50) MAPK1RECQLTSHRGAAMEN1
SCHEMBL29040359 0.81 RECQL (0.50) MAPK1RECQLGAAMEN1KMT2A
SCHEMBL30506256 0.81 RECQL (0.50) MAPK1RECQLTSHRGAAMEN1
SCHEMBL20116382 0.81 RECQL (0.50) MAPK1RECQLTSHRGAAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed