SCHEMBL30007138

SCHEMBL30007138

CCCCOC(=O)c1scnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46
ESR1 P03372 6/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL20267761 0.90 KDM4E (0.53) KDM4EPKMTSHRTDP1LMNA
SCHEMBL31575 0.85 KDM4E (0.58) KDM4EPKMTDP1LMNANPC1
Formic Acid SCHEMBL31362863 0.85 KDM4E (0.47) KDM4EPKMTSHRL3MBTL1TDP1
SCHEMBL27634383 0.79 KDM4E (0.55) KDM4EPKMTDP1LMNANPC1
SCHEMBL27656855 0.76 KDM4E (0.51) KDM4EPKMTSHRLMNAMAPK1
Trifluoroacetic Acid SCHEMBL29832016 0.76 KDM4E (0.51) KDM4EPKMTDP1LMNANPC1
SCHEMBL8751647 0.74 PKM (0.53) KDM4EPKML3MBTL1LMNANPC1
SCHEMBL31550097 0.74 CASP3 (0.47) KDM4EPKMTSHRTDP1NPC1
SCHEMBL25767003 0.73 ALDH1A1 (0.42) KDM4EPKMTSHRTDP1LMNA
SCHEMBL27601586 0.73 PKM (0.60) KDM4EPKML3MBTL1LMNANPC1

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-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed