SCHEMBL7828642

SCHEMBL7828642

O=C(NN1C(=O)CN=C(c2ccccc2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CCKBR P32239 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
SENP1 Q9P0U3 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 3/20 0.46
BRD2 P25440 3/20 0.46
BRD3 Q15059 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL8542158 0.86 CYP3A4 (0.39) HDAC3HDAC1HDAC8HDAC6CCKBR
SCHEMBL8547679 0.84 GRIN2B (0.38) HDAC3HDAC1HDAC8HDAC6CCKBR
SCHEMBL2927705 0.82 GABRA1 (0.60) HDAC3HDAC1HDAC8HDAC6CCKBR
SCHEMBL2928880 0.80 GABRA1 (0.52) HDAC3HDAC1HDAC8HDAC6CCKBR
SCHEMBL8553126 0.79 MEN1 (0.42) SENP1SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL8520160 0.75 RAB9A (0.42) SMN1; SMN2BRD4BRD2BRD3CYP3A4
SCHEMBL8549141 0.74 KDM4E (0.46) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL7423680 0.73 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1GAAL3MBTL1RAB9A
SCHEMBL5638173 0.73 MEN1 (0.60) KDM4ESMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL8708857 0.72 DDB1 (0.53) HDAC3HDAC1HDAC8HDAC6CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
EP-1089981-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS. Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed