SCHEMBL31052288

SCHEMBL31052288

CNc1nc(OCc2ccc(OC)cc2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
FGFR4 P22455 1/20 0.40
PKM P14618 3/20 0.40
HTR6 P50406 3/20 0.39
ACVR1 Q04771 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EED O75530 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
SCHEMBL25222858 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1FGFR4PKMHTR6
SCHEMBL31052350 0.87 L3MBTL1 (0.42) ALDH1A1L3MBTL1PKMHTR6ACVR1
SCHEMBL31052268 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1FGFR4PKMHTR6
SCHEMBL25256633 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1FGFR4PKMHTR6
SCHEMBL31052300 0.79 L3MBTL1 (0.44) ALDH1A1L3MBTL1PKMHTR6ACVR1
SCHEMBL25273851 0.75 L3MBTL1 (0.45) L3MBTL1HTR6ACVR1
SCHEMBL31052234 0.75 L3MBTL1 (0.45) L3MBTL1HTR6ACVR1
SCHEMBL25273685 0.74 L3MBTL1 (0.48) ALDH1A1L3MBTL1PKMHTR6ACVR1
SCHEMBL31052395 0.74 L3MBTL1 (0.48) ALDH1A1L3MBTL1PKMHTR6ACVR1
SCHEMBL25219192 0.72 CNR2 (0.40) ALDH1A1HTR6LMNACYP3A4CYP2C9

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-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed