SCHEMBL2490618

SCHEMBL2490618

CCS(=O)(=O)N1CCN(C(=O)c2cnn3c(O)cc(-c4ccccc4)nc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.56
HPGD P15428 10/20 0.56
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 1/20 0.54
ALDH1A1 P00352 11/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL2462605 0.92 TSHR (0.56) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2456621 0.88 ALDH1A1 (0.65) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2464296 0.87 ALDH1A1 (0.60) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2456749 0.87 HPGD (0.60) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2462442 0.86 HPGD (0.61) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2456863 0.84 TSHR (0.59) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2462147 0.84 HPGD (0.59) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2459949 0.84 HPGD (0.77) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2459035 0.84 TSHR (0.61) TSHRHPGDKDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL2456616 0.83 TSHR (0.60) TSHRHPGDKDM4EHSD17B10SMN1; 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
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP claimed