SCHEMBL28756372

SCHEMBL28756372

COC(=O)C(C)(C(=O)OC)c1ccc(OC)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.47
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PABPC1 P11940 3/20 0.42
BRS3 P32247 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL31292187 0.87 BRS3 (0.50) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL38656126 0.78 NNMT (0.49) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL22079377 0.76 NNMT (0.48) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL77481 0.76 KDM4E (0.47) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL24094522 0.75 SORT1 (0.41) KMT2AMEN1KDM4ECYP2C19ALDH1A1
SCHEMBL30318826 0.75 SORT1 (0.41) KMT2AMEN1KDM4ECYP2C19ALDH1A1
SCHEMBL4306894 0.75 ACACB (0.43) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL26357644 0.74 TSHR (0.40) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL22285418 0.73 NNMT (0.47) NNMTKMT2AMEN1KDM4EMAPT
SCHEMBL38654794 0.73 MAPT (0.50) KMT2AMEN1MAPTLMNAPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478519-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-114478519-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-05-13 CN disclosed
WO-2022083741-A1 PYRAZOLOPYRIDINE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2022-04-28 WO disclosed