SCHEMBL1553872

SCHEMBL1553872

CCOC(=O)C(=Cc1cccc(F)c1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
PTGS2 P35354 1/20 0.48
AKR1C3 P42330 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGS1 P23219 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
UBE2N P61088 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
SCHEMBL1553869 1.00 MAPT (0.58) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL7689781 0.82 PDCD1 (0.64) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL7689784 0.82 PDCD1 (0.64) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL6934839 0.82 MEN1 (0.57) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL6934835 0.82 MEN1 (0.57) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL1554470 0.80 AKR1C3 (0.64) AKR1C3KMT2AMEN1CYP1A2CYP2C9
SCHEMBL1554468 0.80 AKR1C3 (0.64) AKR1C3KMT2AMEN1CYP1A2CYP2C9
SCHEMBL1676321 0.78 MAPT (0.67) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL7248148 0.77 MEN1 (0.64) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL1695615 0.76 CA12 (0.47) MAPTPTGS2KMT2AMEN1LMNA

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
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed