SCHEMBL5658844

SCHEMBL5658844

O=C(COc1ncc(C(=O)O)cn1)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
NOTUM Q6P988 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MITF O75030 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
DAPK1 P53355 1/20 0.49
PIM3 Q86V86 1/20 0.49

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
SCHEMBL5660133 0.88 NOTUM (0.67) CXCR1CXCR2NOTUMRAB9ANPC1
SCHEMBL5660811 0.85 GAA (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5659910 0.83 MAPT (0.57) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5660210 0.82 SMN1; SMN2 (0.55) LMNARAB9ANPC1MEN1KMT2A
SCHEMBL5658255 0.79 KMT2A (0.61) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3498895 0.75 LMNA (0.78) NOTUMLMNARAB9ANPC1MEN1
SCHEMBL5656193 0.74 ALDH1A1 (0.51) LMNARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5657166 0.73 HCAR3 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9125307 0.73 ALDH1A1 (0.65) NOTUMLMNARAB9AMEN1KMT2A
SCHEMBL5659052 0.72 MAPK1 (0.48) LMNAMEN1KMT2ASMN1; SMN2DAPK1

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