SCHEMBL29673258

SCHEMBL29673258

O=C(O)c1ccc2c(c1)CCCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
MAPT P10636 2/20 1.00
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ACHE P22303 2/20 0.48
PLAU P00749 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 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
SCHEMBL45202 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL2638095 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL29530477 0.89 KDM4E (0.81) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL29202153 0.89 KDM4E (0.78) KDM4EMAPTALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL698487 0.88 KDM4E (0.78) KDM4EMAPTALDH1A1ACHEALOX15
SCHEMBL2730135 0.86 KDM4E (0.76) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL29365830 0.86 KDM4E (0.76) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL3096482 0.85 MAPT (0.73) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL30011603 0.85 KDM4E (0.73) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL28039955 0.85 MAPT (0.73) KDM4EMAPTALDH1A1CA12CA1

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-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 CN disclosed
CN-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 CN disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN disclosed