SCHEMBL28049253

SCHEMBL28049253

O=C(Cl)OC(c1ccccc1)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 5/20 0.43
CYP2D6 P10635 5/20 0.43
CYP3A4 P08684 4/20 0.43
KCNA5 P22460 4/20 0.43
KCNH2 Q12809 4/20 0.43
KCNE1 P15382 1/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL28086157 0.97 LMNA (0.51) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27999947 0.95 GAA (0.53) LMNAGAAKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL28314858 0.95 LMNA (0.54) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27995211 0.87 ATM (0.41) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL27968133 0.86 ATM (0.38) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28816744 0.86 MEN1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28299375 0.84 KCNA3 (0.43) LMNAGAAALDH1A1CYP1A2CYP2D6
SCHEMBL28013981 0.84 LMNA (0.40) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL28026010 0.83 ALDH1A1 (0.38) LMNAGAAALDH1A1CYP1A2CYP2C9
SCHEMBL28049321 0.83 ALDH1A1 (0.40) LMNAGAAKMT2AALDH1A1MEN1

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-110267949-A SGC stimulant 塞科里昂医疗股份有限公司 2019-09-20 CN disclosed
CN-109890817-A 8- (azetidin-1-yl) - [1,2,4] triazolo [1,5-a ] pyridinyl compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2019-06-14 CN disclosed
CN-102918042-B 8-methyl-1-phenyl-imidazo [1,5-a ] pyrazine compounds MERCK SHARP & DOHME B.V. (NL) 2016-03-09 CN disclosed