SCHEMBL27917867

SCHEMBL27917867

COc1ccc(CC(=N)CC(C)N2C=Cc3ccccc3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KLK7 P49862 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL22411030 0.72 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL9809180 0.70 MEN1 (0.37) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL22411031 0.68 TAS1R3 (0.38) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL5141014 0.67 HDAC3 (0.37) MEN1KMT2A
SCHEMBL1128432 0.67 HDAC3 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL324667 0.66 P2RX4 (0.48) SMN1; SMN2RAB9AALDH1A1MAPTATM
Iodide SCHEMBL10822526 0.65 HDAC3 (0.35) MEN1KMT2A
SCHEMBL14890911 0.62 TAS1R3 (0.45) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL28171516 0.61 KDM4E (0.56) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL30579890 0.59 SIGMAR1 (0.47) MEN1KMT2ARAB9AALDH1A1GAA

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-103254172-A Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS INC 2013-08-21 CN disclosed