SCHEMBL7828964

SCHEMBL7828964

O=C1C=NC(c2cccc(F)c2)c2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GFER P55789 1/20 0.35
JAK2 O60674 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL7829572 0.85 GAA (0.39) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4422464 0.84 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL607586 0.76 L3MBTL1 (0.39) L3MBTL1PKMMEN1KMT2AGFER
SCHEMBL6930683 0.73 PDE4A (0.46) L3MBTL1PKMMEN1KMT2AJAK2
SCHEMBL11519279 0.71 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7477762 0.70 GSK3B (0.41) MEN1KMT2ACYP1A2RAB9ANPC1
SCHEMBL7835439 0.69 ALDH1A1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8618927 0.65 ALDH1A1 (0.36) MEN1KMT2AALDH1A1IDO1
SCHEMBL8543734 0.63 HTR2A (0.46) L3MBTL1PKMMEN1KMT2AJAK2
SCHEMBL20894117 0.61 GFER (0.34) PKMKMT2AGFERCYP1A2CYP3A4

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 2 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
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed