SCHEMBL7974012

SCHEMBL7974012

Oc1nc(-c2cccc(Cl)c2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CXCR2 P25025 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 1/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACP1 P24666 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADORA2A P29274 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7973626 0.95 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2HTTGLAUBE2N
SCHEMBL7988668 0.94 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2ADORA3ADORA2BHTT
SCHEMBL7975240 0.90 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ESMN1; SMN2HTT
SCHEMBL7985360 0.90 POLB (0.40) SMN1; SMN2HTTGLAUBE2NL3MBTL1
SCHEMBL7991646 0.90 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2HTTGLAUBE2N
SCHEMBL7988551 0.90 ADORA3 (0.43) ALDH1A1HPGDKDM4ECXCR2ADORA3
SCHEMBL7991597 0.90 PDE4B (0.39) ALDH1A1HPGDSMN1; SMN2ADORA3HTT
SCHEMBL7988781 0.90 MET (0.43) SMN1; SMN2HTTGLAUBE2NL3MBTL1
SCHEMBL7985336 0.89 PIK3CA (0.42) ALDH1A1HPGDCXCR2SMN1; SMN2ADORA3
SCHEMBL7991566 0.89 ACP1 (0.43) KDM4ESMN1; SMN2HTTGLAUBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed