SCHEMBL30123599

SCHEMBL30123599

Cc1cc(C#N)cc(C)c1OCCCCCBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.41
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
KLK1 P06870 1/20 0.33
ABCC3 O15438 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL8876567 0.81 SCN8A (0.39) SCN8ATHRATHRBMAPTALDH1A1
SCHEMBL9523339 0.81 SCN8A (0.39) SCN8ATHRATHRBMAPTALDH1A1
SCHEMBL8554425 0.79 SCN8A (0.43) SCN8ATHRATHRBMAPTALDH1A1
SCHEMBL6132790 0.79 MEN1 (0.54) THRATHRBMAPTALDH1A1KDM4E
SCHEMBL11241141 0.78 KMT2A (0.47) THRATHRBMAPTALDH1A1KDM4E
SCHEMBL8552558 0.77 SCN8A (0.40) SCN8AMAPTALDH1A1KMT2ACYP1A2
SCHEMBL28412531 0.77 HTR1A (0.41) SCN8AMAPTALDH1A1KDM4EKMT2A
SCHEMBL24942168 0.77 KDM4E (0.49) SCN8ATHRATHRBALDH1A1KDM4E
SCHEMBL8137092 0.77 SCN8A (0.41) SCN8AMAPTALDH1A1KDM4EMEN1
SCHEMBL28407881 0.75 MAPT (0.43) SCN8ATHRATHRBMAPTALDH1A1

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-111732570-B Imidazolidinone with antiviral activity, and synthetic method and application thereof 湖北工程学院 2022-11-29 CN disclosed