SCHEMBL5658611

SCHEMBL5658611

Nc1nc(SCC(=O)OCc2c(F)c(F)c(F)c(F)c2F)ncc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.46
CXCR2 P25025 4/20 0.46
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 6/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.42
PTPN11 Q06124 1/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.40

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
SCHEMBL5657347 0.88 LMNA (0.46) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5657939 0.87 CXCR2 (0.53) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5657757 0.87 ALDH1A1 (0.58) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5659995 0.86 CXCR1 (0.52) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5660105 0.86 CXCR1 (0.58) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5659631 0.85 CXCR1 (0.62) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5658940 0.85 LMNA (0.45) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5658497 0.84 LMNA (0.56) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5657929 0.84 CXCR1 (0.51) CXCR1CXCR2LMNASMN1; SMN2HSD17B10
SCHEMBL5657932 0.83 CXCR2 (0.54) CXCR1CXCR2LMNASMN1; SMN2HSD17B10

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