SCHEMBL7980412

SCHEMBL7980412

O=C1Nc2ccccc2N2CC(O)C[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 2/20 0.38
HTR2C P28335 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL7981338 1.00 KDM4E (0.56) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7968441 1.00 KDM4E (0.56) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL38658291 0.85 ALDH1A1 (0.65) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7968240 0.82 MEN1 (0.43) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7271109 0.82 MEN1 (0.43) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL31343774 0.77 MEN1 (0.38) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL12715398 0.75 CRBN (0.43) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7265416 0.75 CES1 (0.40) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL12714533 0.75 CRBN (0.44) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL8404564 0.75 ALDH1A1 (0.67) KDM4EGAAALDH1A1MAPTMEN1

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-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed