SCHEMBL7984465

SCHEMBL7984465

Oc1nc(-c2ccccc2F)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 4/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 2/20 0.38
FAAH O00519 1/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.34
NR1I2 O75469 1/20 0.33
CASR P41180 1/20 0.33
USP19 O94966 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
F2 P00734 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7974276 0.93 HTT (0.39) CNOT7POLBMAPK1MAPK14MAPT
SCHEMBL7974646 0.86 MAPK14 (0.47) CNOT7TSHRPOLBMAPK1MAPK14
SCHEMBL7985446 0.86 GBA1 (0.41) CNOT7TSHRLMNAMAPK14MAPT
SCHEMBL7984242 0.85 CNOT7 (0.45) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7985603 0.84 CNOT7 (0.41) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7988802 0.83 NPC1 (0.44) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7974291 0.82 CNOT7 (0.39) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7991652 0.81 CNOT7 (0.42) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7984490 0.80 CNOT7 (0.41) CNOT7TSHRPOLBMAPK1KDM4E
SCHEMBL7988184 0.80 MET (0.42) TSHRMAPK1KDM4ELMNAMAPK14

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