SCHEMBL7974276

SCHEMBL7974276

Oc1nc(-c2ccccc2F)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAPK14 Q16539 1/20 0.39
CNOT7 Q9UIV1 10/20 0.39
ALDH1A1 P00352 1/20 0.39
CASR P41180 2/20 0.36
NR1I2 O75469 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.35
PKM P14618 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
SCHEMBL7984465 0.93 CNOT7 (0.41) MAPK14CNOT7ALDH1A1CASRNR1I2
SCHEMBL7974646 0.88 MAPK14 (0.47) MAPK14CNOT7ALDH1A1POLBMAPT
SCHEMBL7974615 0.84 ADORA2A (0.44) HTTCNOT7ALDH1A1ADORA2APKM
SCHEMBL7973871 0.84 ADORA3 (0.40) HTTMAPK14CNOT7ALDH1A1ADORA2A
SCHEMBL7985446 0.83 GBA1 (0.41) HTTMAPK14CNOT7ALDH1A1MAPT
SCHEMBL7985288 0.82 NPC1 (0.41) HTTCNOT7ALDH1A1
SCHEMBL7988184 0.81 MET (0.42) HTTMAPK14ALDH1A1MAPTMAPK1
SCHEMBL7973917 0.81 LMNA (0.40) MAPK14ALDH1A1POLBMAPTADORA2A
SCHEMBL7988454 0.81 MAPK14 (0.41) MAPK14
SCHEMBL7984683 0.81 CNOT7 (0.37) HTTCNOT7ALDH1A1CASRADORA2A

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