SCHEMBL7985116

SCHEMBL7985116

O=c1[nH]c(-c2cccnc2)nc2ncn(Cc3ccccc3F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
PNP P00491 1/20 0.42
MAPT P10636 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ROCK2 O75116 1/20 0.38
MEN1 O00255 1/20 0.37
GUCY1B2 O75343 1/20 0.37
GUCY1A2 P33402 1/20 0.37
GUCY1A1 Q02108 1/20 0.37

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
SCHEMBL7987219 0.89 ALDH1A1 (0.45) HPGDMAPTLMNATP53POLB
SCHEMBL7991414 0.89 GRIA1 (0.42) HPGDMAPTLMNATP53POLB
SCHEMBL7986753 0.85 TNKS (0.43) HPGDLMNATP53POLBALDH1A1
SCHEMBL7974283 0.85 ALDH1A1 (0.53) HPGDPNPMAPTKDM4CALDH1A1
SCHEMBL7988742 0.84 LMNA (0.42) HPGDLMNATP53POLBALDH1A1
SCHEMBL7989418 0.84 SMN1; SMN2 (0.44) HPGDPNPMAPTKDM4CALDH1A1
SCHEMBL7985420 0.84 TP53 (0.42) HPGDLMNATP53POLBALDH1A1
SCHEMBL7985119 0.84 CNOT7 (0.42) HPGDMAPTKDM4CLMNAALDH1A1
SCHEMBL7974198 0.83 LMNA (0.41) HPGDMAPTLMNATP53POLB
SCHEMBL7984677 0.83 TP53 (0.41) HPGDLMNATP53POLBALDH1A1

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