SCHEMBL7794052

SCHEMBL7794052

OCCCCNc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
PRSS1 P07477 7/20 0.46
KCNH3 Q9ULD8 2/20 0.45
RHOC P08134 2/20 0.44
RHOA P61586 2/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL23961209 0.98 ALDH1A1 (0.53) ALDH1A1PRSS1KCNH3RHOCRHOA
SCHEMBL909141 0.94 L3MBTL1 (0.47) ALDH1A1PRSS1RHOCRHOALMNA
SCHEMBL2784124 0.89 ALDH1A1 (0.64) ALDH1A1PRSS1KCNH3F2PRSS2
SCHEMBL296404 0.85 HPGD (0.46) ALDH1A1RHOCRHOALMNAMEN1
Hydrochloric Acid SCHEMBL27687293 0.83 HPGD (0.45) ALDH1A1KCNH3RHOCRHOALMNA
SCHEMBL29722205 0.82 ALDH1A1 (0.55) ALDH1A1PRSS1KCNH3F2PRSS2
SCHEMBL10785116 0.81 ALDH1A1 (0.56) ALDH1A1PRSS1KCNH3F2PRSS2
SCHEMBL13591304 0.81 GCGR (0.46) ALDH1A1
SCHEMBL9639726 0.79 MAPT (0.55) ALDH1A1RHOCRHOALMNAMEN1
SCHEMBL14972359 0.79 ALDH1A1 (0.55) ALDH1A1PRSS1KCNH3F2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102060713-A Aromatic amine hapten for detecting azo dyes and preparation method thereof JIAXING ENTRY EXIT INSPECTION AND QUARANTINE BUREAU OF P R C 2011-05-18 CN disclosed
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed