SCHEMBL7975267

SCHEMBL7975267

Oc1nc(-c2ccccc2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ADORA2A P29274 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGDS O60760 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
TNF P01375 1/20 0.41
GAA P10253 3/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
IDO1 P14902 1/20 0.40
ADORA2B P29275 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7988558 0.93 SMN1; SMN2 (0.43) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7991405 0.92 CYP11B1 (0.45) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7975133 0.92 ADORA2A (0.50) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7974441 0.92 GRK2 (0.43) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7984459 0.92 NR1H2 (0.43) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7986521 0.91 CYP11B1 (0.47) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7974507 0.91 MET (0.46) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
Hydrochloric Acid SCHEMBL7985515 0.91 ADORA2A (0.49) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7984717 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2AALDH1A1HPGDSHPGD
SCHEMBL7988668 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ADORA2AALDH1A1ADORA3CYP11B1

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