SCHEMBL29587012

SCHEMBL29587012

O=C1CCC(Nc2ccc3cccnc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 8/20 0.38
PIM2 Q9P1W9 5/20 0.38
PDE10A Q9Y233 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
HCAR3 P49019 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
SCHEMBL21047746 0.78 DDB1 (0.57) KDM4ELMNAKMT2APIM1PDE10A
SCHEMBL29586298 0.78 DDB1 (0.57) KDM4ELMNAKMT2APIM1PDE10A
SCHEMBL21047693 0.75 NOS2 (0.51) ALDH1A1
SCHEMBL15204736 0.73 IRAK4 (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL15204739 0.73 IRAK4 (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL28313526 0.72 MALT1 (0.45) ALDH1A1KDM4EMEN1KMT2APIM1
SCHEMBL29587137 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL21047804 0.71 KDM4E (0.62) ALDH1A1KDM4E
SCHEMBL28282303 0.71 GOT1 (0.43) KDM4EPIM1HCAR3
SCHEMBL559387 0.71 CCNK (0.43) ALDH1A1KDM4EPIM1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed