SCHEMBL5487922

SCHEMBL5487922

Cc1ncc(N)cc1C(=O)Oc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ESR2 Q92731 2/20 0.48
ESR1 P03372 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
NPC1 O15118 2/20 0.47
NR3C1 P04150 1/20 0.47
RAB9A P51151 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 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
SCHEMBL5499408 0.76 DDR2 (0.54) NR3C1
SCHEMBL6689250 0.75 ALDH1A1 (0.70) SMN1; SMN2GAAKDM4EALDH1A1ESR2
SCHEMBL374497 0.73 LTA4H (0.67) SMN1; SMN2GAAKDM4EALDH1A1CA12
SCHEMBL30508414 0.73 BMPR1B (0.64) SMN1; SMN2GAAKDM4EALDH1A1ESR2
SCHEMBL29152375 0.73 BMPR1B (0.64) SMN1; SMN2GAAKDM4EALDH1A1ESR2
SCHEMBL4465091 0.72 PRKAB2 (0.61) SMN1; SMN2GAAKDM4EALDH1A1CA12
SCHEMBL30586324 0.72 PRKAB2 (0.61) SMN1; SMN2GAAKDM4EALDH1A1CA12
SCHEMBL5489767 0.72 DHODH (0.41) SMN1; SMN2NPC1MEN1KMT2AMAOA
SCHEMBL14204158 0.72 CA12 (0.65) SMN1; SMN2GAAKDM4EALDH1A1CA12
Hydrochloric Acid SCHEMBL14742325 0.72 NPC1 (0.68) SMN1; SMN2GAAKDM4EALDH1A1CA12

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed