SCHEMBL8201801

SCHEMBL8201801

Cc1nc(C)c(CCCl)o1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7996431 0.80
Hydrochloric Acid SCHEMBL5013560 0.78 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL13602623 0.78
SCHEMBL15820751 0.76
SCHEMBL961927 0.72
SCHEMBL13566384 0.71 KCNH2 (0.39) ALDH1A1KMT2A
SCHEMBL16729192 0.70
SCHEMBL4988596 0.70
SCHEMBL4982420 0.70
SCHEMBL5013623 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722316-B1 NEW EMULSION FORMULATION ASTRA AB (SE) 2000-01-26 EP claimed
US-5843465-A Emulsion formulation ASTRA AKTIEBOLAG (SE) 1998-12-01 US claimed
EP-0722316-A1 NEW EMULSION FORMULATION Astra Aktiebolag (SE) 1996-07-24 EP claimed
WO-1995009609-A1 NEW EMULSION FORMULATION ASTRA AKTIEBOLAG (SE) 1995-04-13 WO claimed
EP-0722316-B1 NEW EMULSION FORMULATION ASTRA AB (SE) 2000-01-26 EP disclosed
US-5843465-A Emulsion formulation ASTRA AKTIEBOLAG (SE) 1998-12-01 US disclosed
US-5660837-A ADDING STABILIZING SURFACTANT OR SURFACTANT DRUG, THEN HIGH PRESSURE HOMOGENIZING ASTRA AKTIEBOLAG (SE) 1997-08-26 US disclosed
EP-0722316-A1 NEW EMULSION FORMULATION Astra Aktiebolag (SE) 1996-07-24 EP disclosed
WO-1995009609-A1 NEW EMULSION FORMULATION ASTRA AKTIEBOLAG (SE) 1995-04-13 WO disclosed