SCHEMBL29689487

SCHEMBL29689487

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.64
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 6/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
STAT3 P40763 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EPAS1 Q99814 1/20 0.46
GAA P10253 1/20 0.46
KCNMA1 Q12791 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
SCHEMBL15717137 1.00 RAB9A (0.64) RAB9ALMNAHPGDSMN1; SMN2MAPK1
SCHEMBL31202815 0.81 RAB9A (0.59) RAB9ALMNAHPGDSMN1; SMN2MAPK1
SCHEMBL2687698 0.78 PKM (0.63) RAB9AMAPK1MAPTMEN1KMT2A
SCHEMBL11158535 0.78 RAB9A (0.43) RAB9ASMN1; SMN2MAPK1MAPTMEN1
SCHEMBL29937559 0.77 MAPT (0.68) RAB9ALMNASMN1; SMN2MAPK1MAPT
SCHEMBL3485340 0.77 MAPT (0.68) RAB9ALMNASMN1; SMN2MAPK1MAPT
SCHEMBL1955915 0.77 MAPT (0.52) LMNAHPGDSMN1; SMN2MAPK1MAPT
SCHEMBL27083133 0.76 MAPT (0.52) RAB9ALMNAHPGDSMN1; SMN2MAPK1
SCHEMBL5494560 0.75 RAB9A (0.68) RAB9ALMNASMN1; SMN2MAPTMEN1
SCHEMBL20336352 0.75 MAPT (0.60) RAB9ALMNAHPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040445-A Heterocyclopyridine-7-one compound and medical application thereof 浙江大学金华研究院 2025-05-27 CN disclosed
CN-116283658-B Hydrazide hydrazone HIF-2 alpha inhibitor and application thereof 浙江大学医学院附属第一医院 2025-04-25 CN disclosed
CN-114671827-B O-benzoyl-sulfonyl imide derivative and application thereof 杭州百新生物医药科技有限公司 2024-09-20 CN disclosed
CN-116836168-A 7-difluoromethyl-5-arylpyrazolopyrimidine compound and preparation and application thereof 浙江大学 2023-10-03 CN disclosed
CN-116283658-A Hydrazide hydrazone HIF-2 alpha inhibitor and application thereof 浙江大学医学院附属第一医院 2023-06-23 CN disclosed
CN-114685395-A 2, 3-dihydrobenzo [ d ] isothiazole compound and application thereof 浙江大学 2022-07-01 CN disclosed
CN-114671827-A O-benzoylsulfimide derivative and its application 杭州百新生物医药科技有限公司 2022-06-28 CN disclosed