SCHEMBL5657932

SCHEMBL5657932

COC(=O)c1ccc(COC(=O)CSc2ncc(C(=O)Nc3ccc(F)cc3)c(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.54
CXCR1 P25024 5/20 0.54
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 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
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5659995 0.88 CXCR1 (0.52) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5657939 0.88 CXCR2 (0.53) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5658497 0.87 LMNA (0.56) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5657929 0.87 CXCR1 (0.51) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5660079 0.86 SMN1; SMN2 (0.51) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5659346 0.85 ALDH1A1 (0.54) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5660105 0.85 CXCR1 (0.58) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5657757 0.84 ALDH1A1 (0.58) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5658611 0.83 CXCR1 (0.46) CXCR2CXCR1LMNAALDH1A1SMN1; SMN2
SCHEMBL5659631 0.82 CXCR1 (0.62) CXCR2CXCR1LMNAALDH1A1SMN1; 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 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