SCHEMBL6233017

SCHEMBL6233017

COc1ccc(CNCCc2ncc(C)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.48
SCN8A Q9UQD0 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
HTR2A P28223 2/20 0.45
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL6240567 0.84 BCHE (0.64) BCHEMEN1KMT2ACA12CA1
SCHEMBL6230739 0.81 HPGD (0.40) BCHEGAAALDH1A1
SCHEMBL6239778 0.76 BCHE (0.65) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL19374880 0.76 CHRM2 (0.50) BCHEMEN1KMT2ACHRM2CA12
SCHEMBL2759573 0.74 NPC1 (0.50) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL6233515 0.74 BCHE (0.41) BCHEMEN1KMT2AHTR2AKDM4E
SCHEMBL6235980 0.74 SMN1; SMN2 (0.59) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL2938432 0.74 CHRM2 (0.78) BCHEMEN1KMT2ACHRM2GAA
SCHEMBL6233779 0.74 CD274 (0.49) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL6233816 0.73 SLC2A1 (0.51) BCHEMEN1KMT2AGAAALDH1A1

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed