SCHEMBL5658940

SCHEMBL5658940

C=CCOC(=O)CSc1ncc(C(=O)Nc2ccc(F)cc2)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 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
KMT2A Q03164 1/20 0.45
CXCR1 P25024 4/20 0.45
CXCR2 P25025 4/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
PTPN11 Q06124 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK10 P53779 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
SCHEMBL5657757 0.88 ALDH1A1 (0.58) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5660105 0.86 CXCR1 (0.58) LMNASMN1; SMN2HSD17B10MEN1TP53
SCHEMBL5659631 0.86 CXCR1 (0.62) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5658611 0.85 CXCR1 (0.46) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5657939 0.84 CXCR2 (0.53) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5659538 0.83 CXCR2 (0.56) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5660845 0.83 CXCR1 (0.47) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5657961 0.83 SMN1; SMN2 (0.49) LMNASMN1; SMN2HSD17B10RAB9AMEN1
SCHEMBL5659995 0.83 CXCR1 (0.52) LMNASMN1; SMN2HSD17B10MEN1TP53
SCHEMBL5657929 0.81 CXCR1 (0.51) LMNASMN1; SMN2HSD17B10RAB9AMEN1

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