SCHEMBL8625155

SCHEMBL8625155

O=CNc1nc(-c2ccc(OCC(=O)O)cc2)cn1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
TEK Q02763 1/20 0.38
ACACA Q13085 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
ADORA2B P29275 4/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HCK P08631 1/20 0.35
FLT3 P36888 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GRK6 P43250 1/20 0.35
P2RY14 Q15391 1/20 0.34

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
Hydrochloric Acid SCHEMBL8621516 0.91 ADORA3 (0.37) MAPK14LCKSRCTEKADORA2B
Hydrochloric Acid SCHEMBL8626324 0.80 MAPK14 (0.40) MAPK14LCKSRCTEKACACA
SCHEMBL8625163 0.78 MAPK14 (0.40) MAPK14ACACAITGB3ITGA2BMEN1
Hydrochloric Acid SCHEMBL8625072 0.73 MAPK14 (0.38) MAPK14ADORA2BADORA3
Hydrochloric Acid SCHEMBL8621526 0.71 MAPK14 (0.35) MAPK14ADORA2BADORA3
SCHEMBL8625160 0.69 ADORA3 (0.41) MAPK14ITGB3ITGA2BADORA3MEN1
Hydrochloric Acid SCHEMBL8627100 0.67 SMN1; SMN2 (0.38) LCKSRCKMT2AFLT3
Hydrochloric Acid SCHEMBL9407928 0.65 PPARD (0.44) ITGB3ITGA2BMEN1
SCHEMBL2437311 0.64 ALDH1A1 (0.62) MEN1KMT2A
SCHEMBL9058915 0.63 MAPT (0.46) MEN1KMT2A

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-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed