SCHEMBL28822692

SCHEMBL28822692

O=C(Cl)OC(c1ccccc1)N1CCC(=CN2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 5/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 5/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
KCNA5 P22460 4/20 0.36
KCNH2 Q12809 4/20 0.36
KCNE1 P15382 1/20 0.36
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL27999947 0.86 GAA (0.53) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL28086157 0.85 LMNA (0.51) GAALMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28314858 0.83 LMNA (0.54) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL27851573 0.83 CYP1A2 (0.39) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL28049253 0.82 LMNA (0.47) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL27968133 0.81 ATM (0.38) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL27995211 0.76 ATM (0.41) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL28063498 0.76 ATM (0.37) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL28816744 0.75 MEN1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28073265 0.75 ALDH1A1 (0.37) GAALMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed