SCHEMBL1380970

SCHEMBL1380970

O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCNCC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HTR6 P50406 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
IDH2 P48735 1/20 0.46
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45

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
SCHEMBL1377794 0.96 HTR6 (0.51) MEN1MAPTKMT2ALMNAGAA
Hydrochloric Acid SCHEMBL27585546 0.95 HTR6 (0.50) MEN1MAPTKMT2ALMNAGAA
SCHEMBL1380651 0.86 HTR6 (0.60) HTR6HTR1D
SCHEMBL1380901 0.85 HTR6 (0.55) HTR6
Hydrochloric Acid SCHEMBL5550931 0.85 HTR6 (0.59) LMNAKDM4EHTR6ALDH1A1HTR1D
SCHEMBL1380667 0.83 HTR6 (0.48) MAPTKMT2AHTR6
SCHEMBL1381062 0.82 HTR6 (0.47) MEN1MAPTKMT2ALMNAHTT
SCHEMBL1381741 0.82 SLC22A12 (0.53) MAPTHTR6HTR1D
SCHEMBL4315177 0.82 HTR6 (0.49) MAPTHTR6TSHRHTR3EHTR3B
SCHEMBL3609792 0.81 HTR6 (0.66) MEN1MAPTKMT2AKDM4EHTR6

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
JP-4731114-B2 2011-07-20 JP claimed