SCHEMBL7792853

SCHEMBL7792853

C=CCOc1ccc(Br)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 6/20 0.46
MGAM O43451 4/20 0.46
SI P14410 4/20 0.46
MGAM2 Q2M2H8 4/20 0.46
PTPN1 P18031 2/20 0.43
FLT3 P36888 1/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL28036370 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9441730 0.87 FLT3 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL24436737 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL22215820 0.83 KDM4E (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
Bicarbonate SCHEMBL28084451 0.80 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2GAAMGAM
SCHEMBL2198665 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL21736912 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMEN1LMNAKMT2A
Bicarbonate SCHEMBL28084450 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1697477 0.79 KDM4E (0.49) ALDH1A1MAPTMEN1LMNAKMT2A
Bicarbonate SCHEMBL28084449 0.78 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680320-B1 STABLE ORAL CI-981 FORMULATION AND PROCESS OF PREPARING SAME WARNER LAMBERT CO (US) 1999-04-14 EP claimed
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed