SCHEMBL2553058

SCHEMBL2553058

CCOC(=O)C(c1ccccn1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
KCNA5 P22460 3/20 0.51
KCNE1 P15382 1/20 0.51
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
LMNA P02545 2/20 0.44
NOS2 P35228 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL13044658 0.90 GAA (0.52) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3638211 0.82 NOS2 (0.49) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3638210 0.82 GPR119 (0.47) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL2555289 0.80 KCNA5 (0.60) MEN1KMT2ASMN1; SMN2GAAKCNA5
SCHEMBL2550556 0.79 LMNA (0.68) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL30275051 0.79 KCNA5 (0.58) MEN1KMT2ASMN1; SMN2GAAKCNA5
Hydrochloric Acid SCHEMBL2547992 0.79 LMNA (0.61) MEN1KMT2ASMN1; SMN2GAAKCNA5
SCHEMBL2870098 0.77 LMNA (0.71) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1162993 0.76 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2GAAKCNA5
SCHEMBL14862646 0.76 KDM4E (0.57) MEN1KMT2ASMN1; SMN2GAAALDH1A1

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed