SCHEMBL7513074

SCHEMBL7513074

Cc1ccc(OCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
HPGD P15428 1/20 0.75
MAPK1 P28482 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
TP53 P04637 2/20 0.70
MAPT P10636 5/20 0.69
HTT P42858 3/20 0.69
TSHR P16473 2/20 0.68
GALR3 O60755 1/20 0.68
HIF1A Q16665 1/20 0.67
EPAS1 Q99814 1/20 0.67
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.63

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
SCHEMBL7514631 0.94 KMT2A (0.75) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL7511572 0.92 MEN1 (0.88) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL31504023 0.92 MEN1 (0.88) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL3498895 0.88 LMNA (0.78) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL13985697 0.86 MAPK1 (0.84) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL14184554 0.86 MEN1 (0.78) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL11888597 0.86 NPC1 (0.76) KMT2AMEN1HPGDMAPK1SMN1; SMN2
SCHEMBL15226896 0.85 LMNA (0.65) KMT2AMEN1MAPK1SMN1; SMN2MAPT
SCHEMBL31503975 0.84 LMNA (0.78) KMT2AMEN1MAPK1MAPTNPC1
SCHEMBL2956553 0.84 HIF1A (0.93) KMT2AMEN1MAPK1SMN1; SMN2TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US claimed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US disclosed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US disclosed