SCHEMBL7792225

SCHEMBL7792225

COc1cccc2c1-c1c(OC(C)C3CCCN3)cccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ELANE P08246 2/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
APAF1 O14727 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 1/20 0.40
PIM1 P11309 1/20 0.40
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
RAB9A P51151 3/20 0.38

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
SCHEMBL7794957 0.96 MEN1 (0.46) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL7786168 0.94 MEN1 (0.47) MEN1KMT2AELANEPDCD1LG2CD274
SCHEMBL7794885 0.91 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7794694 0.90 ALDH1A1 (0.39) MEN1KMT2AELANEPDCD1LG2CD274
SCHEMBL7795757 0.90 ALDH1A1 (0.44) MEN1KMT2AELANEPDCD1LG2CD274
SCHEMBL7792122 0.89 SLC6A2 (0.43) MEN1KMT2APDCD1LG2CD274MAPT
SCHEMBL7786218 0.89 PDCD1LG2 (0.36) MEN1KMT2APDCD1LG2CD274MAPT
SCHEMBL7795914 0.87 TTR (0.43) MEN1KMT2APDCD1LG2CD274MAPT
SCHEMBL7792062 0.87 SLC6A2 (0.41) MEN1KMT2AALDH1A1
SCHEMBL7795698 0.87 ALDH1A1 (0.43) MEN1KMT2AELANEALDH1A1

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-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