SCHEMBL5659675

SCHEMBL5659675

CCOC(=O)CCSc1ncc(C(=O)Nc2ccc(F)cc2)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.54
LMNA P02545 4/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL5659407 0.95 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5657757 0.90 ALDH1A1 (0.58) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5660105 0.82 CXCR1 (0.58) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5659631 0.82 CXCR1 (0.62) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5660079 0.79 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5660845 0.79 CXCR1 (0.47) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5659538 0.79 CXCR2 (0.56) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5658940 0.78 LMNA (0.45) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5657347 0.78 LMNA (0.46) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL5658611 0.77 CXCR1 (0.46) SMN1; SMN2LMNAHSD17B10MEN1KMT2A

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-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed