SCHEMBL10685804

SCHEMBL10685804

O=C1c2cccnc2N(c2cccc(Cl)c2)C2=NCCCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 4/20 0.38
ALOX15 P16050 2/20 0.38
PGR P06401 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
BCL2A1 Q16548 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MGLL Q99685 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL10685215 0.93 CASP6 (0.43) CASP6ALDH1A1CYP11B2CYP11B1KDM4E
SCHEMBL10685000 0.88 MAPT (0.39) ALDH1A1MAPTPOLBBCL2A1MAPK1
SCHEMBL10688219 0.87 ALDH1A1 (0.43) ALDH1A1CYP11B2KDM4ESMN1; SMN2MAPT
SCHEMBL10686019 0.86 CACNA2D1 (0.41) ALDH1A1MAPTL3MBTL1HTTKMT2A
SCHEMBL10682185 0.85 SCN2A (0.49) ALDH1A1KDM4EMAPTL3MBTL1HTT
SCHEMBL10687000 0.81 TSHR (0.40) ALDH1A1MAPTPOLBTSHRBCL2A1
SCHEMBL10681336 0.80 ALDH1A1 (0.43) ALDH1A1CYP11B2KDM4ESMN1; SMN2MAPT
SCHEMBL10688176 0.79 CACNA2D1 (0.43) ALDH1A1MAPTL3MBTL1KMT2AMGLL
SCHEMBL10685053 0.78 SCN2A (0.51) ALDH1A1KDM4EMAPTL3MBTL1HTT
SCHEMBL10684358 0.77 CYP11B2 (0.49) ALDH1A1CYP11B2CYP11B1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP claimed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO claimed
US-4725596-A Pyrimidine derivatives having anti-allergy, anti-inflammatory and immuno suppressant activity SCHERING CORPORATION (US) 1988-02-16 US disclosed
EP-0220282-A1 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1987-05-06 EP disclosed
WO-1986006375-A2 PYRIMIDINE DERIVATIVES HAVING ANTI-ALLERGY, ANTI-INFLAMMATORY AND IMMUNO SUPPRESSANT ACTIVITY SCHERING CORPORATION (US) 1986-11-06 WO disclosed