SCHEMBL28041600

SCHEMBL28041600

C/C=C1\N=C(C=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL8346897 0.72 MEN1 (0.36) HTR2BMEN1LMNATHRBBLM
SCHEMBL28144810 0.71 MEN1 (0.33) HTR2BMEN1LMNATHRBBLM
SCHEMBL15236205 0.70 IDO1 (0.36) HTR2BMEN1LMNATHRBBLM
SCHEMBL27741225 0.60 ACHE (0.33) MEN1LMNATHRBBLMKMT2A
SCHEMBL11566679 0.59 KMT2A (0.43) HTR2BMEN1LMNATHRBKMT2A
SCHEMBL22505279 0.58 MEN1 (0.62) MEN1KMT2AALDH1A1
SCHEMBL21200769 0.55 MEN1 (0.36) MEN1LMNATHRBBLMKMT2A
SCHEMBL11768743 0.55 LMNA (0.60) MEN1LMNATHRBBLMKMT2A
SCHEMBL14431153 0.55 MAPT (0.58) MEN1LMNATHRBBLMKMT2A
SCHEMBL30497064 0.55 LMNA (0.60) MEN1LMNATHRBBLMKMT2A

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-105237440-A Novel CRAC channel conditioning agent, and preparation method and applications thereof SHANGHAI INST MATERIA MEDICA 2016-01-13 CN disclosed