SCHEMBL7984490

SCHEMBL7984490

Nc1ccc(-c2nc(O)c3c(ncn3CCCc3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOB P27338 4/20 0.38
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
MAOA P21397 2/20 0.34
TMIGD3 P0DMS9 1/20 0.34

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
SCHEMBL7984242 0.92 CNOT7 (0.45) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7985603 0.89 CNOT7 (0.41) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7986355 0.88 SIGMAR1 (0.42) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7991652 0.88 CNOT7 (0.42) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7975133 0.87 ADORA2A (0.50) CNOT7TSHRADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL7985515 0.86 ADORA2A (0.49) CNOT7TSHRADORA2AADORA1ADORA3
SCHEMBL7974615 0.85 ADORA2A (0.44) CNOT7ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL7992303 0.83 CNOT7 (0.40) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7974043 0.83 GBA1 (0.43) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7973871 0.82 ADORA3 (0.40) CNOT7ADORA2AADORA1ADORA3ALDH1A1

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