SCHEMBL7792129

SCHEMBL7792129

CCc1c(OC)cc(C(N)=O)c(Br)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HMGCR P04035 1/20 0.40
MAPK1 P28482 2/20 0.40
PTPN1 P18031 1/20 0.40
PARP15 Q460N3 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
BPTF Q12830 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9755787 0.83 KDM4E (0.42) HTTTSHRAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL5986846 0.81 LCK (0.40) LCKFYNHTTTSHRALDH1A1
SCHEMBL27527024 0.80 KDM4E (0.42) HTTTSHRAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL3342389 0.77 HMGCR (0.50) LCKFYNHTTALDH1A1HMGCR
SCHEMBL7799274 0.77 PTPN1 (0.41) HTTALDH1A1SMN1; SMN2MAPK1PTPN1
SCHEMBL27856953 0.77 KDM4E (0.45) HTTTSHRAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL5574855 0.76 MAPK1 (0.45) HTTTSHRALDH1A1MAPK1PARP15
SCHEMBL28257934 0.76 PTPN1 (0.57) LCKFYNHTTTSHRAPOBEC3A
SCHEMBL13254967 0.75 TAAR1 (0.45) TSHRALDH1A1SMN1; SMN2HMGCRMAPK1
SCHEMBL1260575 0.74 HMGCR (0.41) HTTTSHRAPOBEC3AAPOBEC3GALDH1A1

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-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