SCHEMBL7984944

SCHEMBL7984944

CNCc1nc(O)c2c(ncn2CCCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 9/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CTSL P07711 1/20 0.35
ADORA2A P29274 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
Hydrochloric Acid SCHEMBL7988006 0.99 CNOT7 (0.43) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7984709 0.93 CNOT7 (0.42) CNOT7TSHRKMT2AALDH1A1ADORA2A
Hydrochloric Acid SCHEMBL7984350 0.92 CNOT7 (0.41) CNOT7KDM4EMEN1KMT2AALDH1A1
SCHEMBL7987235 0.87 TSHR (0.46) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7974254 0.87 TSHR (0.46) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7984365 0.86 HPGD (0.45) CNOT7TSHRKMT2AALDH1A1TLR7
Hydrochloric Acid SCHEMBL7992066 0.85 HPGD (0.44) CNOT7TSHRKDM4EKMT2AALDH1A1
SCHEMBL7988857 0.84 CNOT7 (0.43) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7985082 0.80 HTT (0.46) CNOT7TSHRLMNAKMT2AALDH1A1
SCHEMBL7974534 0.80 CNOT7 (0.45) CNOT7TSHRKMT2AALDH1A1ADORA2A

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