SCHEMBL5658497

SCHEMBL5658497

COc1cc(COC(=O)CSc2ncc(C(=O)Nc3ccc(F)cc3)c(N)n2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
CXCR1 P25024 4/20 0.48
CXCR2 P25025 4/20 0.48
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL5657939 0.87 CXCR2 (0.53) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5657932 0.87 CXCR2 (0.54) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5660105 0.86 CXCR1 (0.58) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5660511 0.85 CXCR1 (0.53) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5659995 0.85 CXCR1 (0.52) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5660079 0.85 SMN1; SMN2 (0.51) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5657757 0.85 ALDH1A1 (0.58) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5658611 0.84 CXCR1 (0.46) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5657929 0.84 CXCR1 (0.51) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL5657347 0.84 LMNA (0.46) LMNASMN1; SMN2MAPTTSHRALDH1A1

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