SCHEMBL5658496

SCHEMBL5658496

Nc1nc(SCC(=O)OCCc2cccc3ccccc23)ncc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
CXCR2 P25025 7/20 0.45
CXCR1 P25024 4/20 0.45
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 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
SCHEMBL5661095 0.91 LMNA (0.51) LMNAALDH1A1MAPTHPGDCXCR2
SCHEMBL5657961 0.87 SMN1; SMN2 (0.49) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5659631 0.83 CXCR1 (0.62) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5657939 0.81 CXCR2 (0.53) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5657757 0.81 ALDH1A1 (0.58) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5661145 0.80 LMNA (0.45) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5660105 0.80 CXCR1 (0.58) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5658940 0.79 LMNA (0.45) LMNAALDH1A1MAPTCXCR2CXCR1
SCHEMBL5659097 0.79 ALDH1A1 (0.44) LMNAALDH1A1MAPTHPGDCXCR2
SCHEMBL5658611 0.78 CXCR1 (0.46) LMNAALDH1A1MAPTCXCR2CXCR1

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