SCHEMBL7796098

SCHEMBL7796098

O=C1c2cccc(OCN3CCOCC3)c2-c2cccc(OCN3CCOCC3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
KCNA3 P22001 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH3A1 P30838 1/20 0.41
TERT O14746 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7795910 0.87 KCNA3 (0.44) L3MBTL1MAPTADORA2AADORA1KCNA3
SCHEMBL7795798 0.86 KDM4E (0.57) L3MBTL1MEN1KMT2AKDM4EUSP2
SCHEMBL7796295 0.86 TERT (0.44) L3MBTL1MEN1MAPTKMT2AADORA2A
SCHEMBL7794764 0.85 USP2 (0.58) L3MBTL1TDP1KCNA3KDM4EALDH1A1
SCHEMBL7792581 0.84 USP2 (0.54) L3MBTL1TDP1KCNA3KDM4EALDH1A1
SCHEMBL7796428 0.84 ADORA2A (0.43) L3MBTL1MEN1NPC1MAPTRAB9A
SCHEMBL27493224 0.74 POLB (0.62) L3MBTL1TDP1KDM4EALDH1A1USP2
SCHEMBL9540788 0.74 KDM4E (0.55) L3MBTL1MEN1MAPTKMT2ATDP1
SCHEMBL7786224 0.73 KDM4E (0.53) L3MBTL1MEN1KMT2ATDP1KCNA3
SCHEMBL11634809 0.73 CYP2A13 (0.56) MEN1MAPTKMT2AKDM4EALDH1A1

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