SCHEMBL28043565

SCHEMBL28043565

O=C1CCCN1C(=O)OF

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
CASP6 P55212 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL27731125 0.83 LMNA (0.57) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL28285589 0.81 LMNA (0.55) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL1284277 0.79 LMNA (0.53) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL866289 0.79 LMNA (0.53) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL10532645 0.79 LMNA (0.53) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL28843557 0.78 LMNA (0.52) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL24152469 0.76 LMNA (0.50) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL1231766 0.76 LMNA (0.55) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL7206798 0.76 LMNA (0.50) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL2594237 0.75 LMNA (0.64) LMNAKMT2AMAPTKDM4EMEN1

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-110234638-A Heteroaryl phenoxy benzamide KAPPA opiates ligand 辉瑞大药厂 2019-09-13 CN disclosed
CN-108137596-A 1,2- dihydro -3H- pyrrolo-es [1,2-c] imidazoles -3- ketone antimicrobial compounds being substituted 爱杜西亚药品有限公司 2018-06-08 CN disclosed
CN-107531674-A 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2018-01-02 CN disclosed
CN-107001346-A The base of 1 oxo, 1,2 dihydro-isoquinoline 7 bases of thiophene 2 of substitution (5) sulfonamide compounds, the preparation for containing those compounds and their purposes as AICARFT inhibitor in treating cancer 伊莱利利公司 2017-08-01 CN disclosed
CN-105324380-A Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-02-10 CN disclosed
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed