SCHEMBL10682185

SCHEMBL10682185

O=C1c2cccnc2N(c2cccc([N+](=O)[O-])c2)C2=NCCCN12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.49
HPN P05981 1/20 0.43
BCL2A1 Q16548 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL10685053 0.94 SCN2A (0.51) SCN2AHPNBCL2A1HTTMAPT
SCHEMBL10802273 0.85 SCN2A (0.54) SCN2AHPNBCL2A1HTTMAPT
SCHEMBL10685804 0.85 CASP6 (0.42) BCL2A1HTTMAPTTDP1L3MBTL1
SCHEMBL10688219 0.84 ALDH1A1 (0.43) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL10686019 0.82 CACNA2D1 (0.41) HTTMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL10685000 0.80 MAPT (0.39) BCL2A1MAPTALDH1A1
SCHEMBL10986434 0.79 SCN2A (0.56) SCN2AHPNBCL2A1HTTMAPT
SCHEMBL10685215 0.78 CASP6 (0.43) BCL2A1HTTMAPTTDP1L3MBTL1
SCHEMBL10681336 0.77 ALDH1A1 (0.43) HTTMAPTKMT2AKDM4EALDH1A1
SCHEMBL10688176 0.76 CACNA2D1 (0.43) MAPTL3MBTL1KMT2AALDH1A1

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