SCHEMBL3347284

SCHEMBL3347284

CCc1cc(C(=N)N)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
PRSS1 P07477 5/20 0.50
F10 P00742 4/20 0.50
HSD17B1 P14061 1/20 0.50
BACE1 P56817 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PKM P14618 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
F12 P00748 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
PLG P00747 3/20 0.43
F2 P00734 2/20 0.43
PLAU P00749 2/20 0.43

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
SCHEMBL45875 0.82 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSD17B1BACE1ESR1
SCHEMBL17826838 0.79 PRSS1 (0.46) PRSS1PRSS2PRSS3PLGF2
SCHEMBL18720225 0.78 F10 (0.48) PRSS1F10PRSS2PRSS3F12
SCHEMBL5845887 0.78 PRSS1 (0.44) PRSS1F10PRSS2PRSS3F12
SCHEMBL9763047 0.78 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSD17B1BACE1ESR1
SCHEMBL385574 0.76 PKM (0.75) HSP90AA1HSP90AB1HSD17B1BACE1ESR1
SCHEMBL487507 0.76 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSD17B1BACE1ESR1
SCHEMBL18977485 0.76 PRSS1 (0.46) PRSS1PRSS2PRSS3PLGF2
Hydrochloric Acid SCHEMBL6726373 0.75 PRSS1 (0.43) PRSS1F10PRSS2PRSS3ALDH1A1
SCHEMBL9314470 0.74 LMNA (0.54) PRSS1PRSS2PRSS3ALDH1A1HPGD

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed