SCHEMBL214347

SCHEMBL214347

NC(=O)C1NC=NC1(C(N)=O)c1ccc(OCCCN2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HRH1 P35367 3/20 0.39
EPHX2 P34913 4/20 0.38
HRH2 P25021 2/20 0.38
XDH P47989 1/20 0.38
ITGB3 P05106 8/20 0.38
ITGA2B P08514 8/20 0.38

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
SCHEMBL214643 0.69 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214645 0.68 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214644 0.67 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5935382 0.66 HRH3 (0.53) HRH3HRH1
SCHEMBL3586261 0.64 HRH3 (0.56) HRH3HRH1HRH2
SCHEMBL7247185 0.64 HRH3 (0.60) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4235138 0.62 MAOB (0.60) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3986277 0.62 HRH2 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL5935401 0.62 MAOB (0.59) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4229987 0.61 MAOB (0.58) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed