SCHEMBL5657170

SCHEMBL5657170

CON(C)C(=O)COc1ncc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.41
HCAR3 P49019 6/20 0.37
SRD5A2 P31213 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P4HA1 P13674 2/20 0.33
P4HTM Q9NXG6 2/20 0.33
PLA2G4B P0C869 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
XDH P47989 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL5658335 0.85 KDM4E (0.50) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5660200 0.78 KMT2A (0.51) KDM4EALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL186124 0.76 MAPT (0.59) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5660559 0.73 MAPT (0.45) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL18531914 0.72 LMNA (0.41) KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL185428 0.72 KDM4E (0.52) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL15514113 0.71 HCAR3 (0.50) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5657166 0.71 HCAR3 (0.40) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4842036 0.70 SMN1; SMN2 (0.63) KDM4EALOX15MAPK1SMN1; SMN2MEN1
SCHEMBL31690348 0.69 MEN1 (0.38) ALDH1A1ALOX15HSD17B10MAPK1TSHR

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