SCHEMBL6611097

SCHEMBL6611097

BrCc1ccncc1.CC(C)NCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2C P18825 1/20 0.39
NAMPT P43490 2/20 0.38
NPC1 O15118 1/20 0.37
NR2F2 P24468 1/20 0.37
NOD2 Q9HC29 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL104747 0.90 MEN1 (0.51) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL7996238 0.79 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL4716094 0.79 MEN1 (0.53) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL6020 0.77
SCHEMBL3271284 0.75 SIGMAR1 (0.48) LMNAMAPK1ALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL478150 0.75
Hydrochloric Acid SCHEMBL478149 0.75
Bromide SCHEMBL61873 0.75
SCHEMBL14044084 0.75 MEN1 (0.49) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL172685 0.73 MEN1 (0.47) MEN1KMT2AMAPTLMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444201-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-11 EP disclosed
WO-2003043981-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-30 WO disclosed