SCHEMBL29587735

SCHEMBL29587735

O=C1CCC(Sc2cc3ccccc3nn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21047787 0.79 RXFP1 (0.42) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL29587162 0.79 RXFP1 (0.42) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL28282297 0.75 HPGD (0.45) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL21047753 0.72 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL29587144 0.71 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL29586678 0.71 KDM4E (0.39) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL28282301 0.71 PDE10A (0.34) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL21047774 0.70 CRBN (0.54) ALDH1A1MAPTDDB1CRBNMEN1
SCHEMBL28282312 0.69 DDB1 (0.33) DDB1CRBNMEN1CYP1A2KMT2A
SCHEMBL28282295 0.69 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDLMNA

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