SCHEMBL7988674

SCHEMBL7988674

NCCc1nc(O)c2c(ncn2Cc2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ACP1 P24666 1/20 0.42
YTHDC1 Q96MU7 3/20 0.40
KDM4E B2RXH2 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR6 P50406 1/20 0.39
FSCN1 Q16658 1/20 0.38
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37
BRD4 O60885 1/20 0.37
MMP13 P45452 1/20 0.37
CYP11B1 P15538 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
SCHEMBL7991724 0.90 SMN1; SMN2 (0.47) SMN1; SMN2GLAHTTUBE2NL3MBTL1
SCHEMBL7985637 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ADORA2ACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987616 0.87 SMN1; SMN2 (0.42) SMN1; SMN2ADORA2ACYP11B1CYP11B2
SCHEMBL7988533 0.87 TAAR1 (0.43) L3MBTL1TAAR1MAOBBRD4CYP11B1
SCHEMBL7992186 0.87 CYP11B1 (0.47) SMN1; SMN2HTTTAAR1ADORA2AADORA1
SCHEMBL7984754 0.86 SMN1; SMN2 (0.47) SMN1; SMN2GLAHTTUBE2NL3MBTL1
SCHEMBL7985274 0.84 GAA (0.48) TAAR1YTHDC1ADORA2AADORA1MAOB
SCHEMBL7987673 0.83 YTHDC1 (0.47) SMN1; SMN2GLAHTTUBE2NL3MBTL1
Hydrochloric Acid SCHEMBL7987804 0.83 YTHDC1 (0.46) SMN1; SMN2GLAHTTUBE2NL3MBTL1
SCHEMBL7985319 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ADORA2ACYP11B1CYP11B2

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