SCHEMBL8200751

SCHEMBL8200751

Cc1nc(C)c(CCCl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
PDE10A Q9Y233 7/20 0.37
SLC6A3 Q01959 1/20 0.37
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
P2RX7 Q99572 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
SCHEMBL1846903 0.81
SCHEMBL8931338 0.80 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2D6KDM4EMEN1
SCHEMBL8931356 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6KDM4EMEN1
SCHEMBL10282380 0.79 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2D6GAAHRH2
Hydrochloric Acid SCHEMBL4858282 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6LMNAGAA
SCHEMBL11397758 0.78 HRH2 (0.68) ALDH1A1CYP1A2CYP2D6KDM4EMEN1
SCHEMBL1244176 0.77 HRH2 (0.67) ALDH1A1CYP1A2CYP2D6LMNAGAA
SCHEMBL263398 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2D6GAAHRH2
SCHEMBL2095581 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2D6GAAHRH2
Bromide SCHEMBL11173485 0.77 HRH2 (0.66) ALDH1A1CYP1A2CYP2D6KDM4EMEN1

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 11 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
CN-1134663-A New emulsion formulation ASTRA AB (SE) 1996-10-30 CN 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
CN-1134663-A New emulsion formulation ASTRA AB (SE) 1996-10-30 CN 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