SCHEMBL7986293

SCHEMBL7986293

Oc1nc(-c2ccccn2)nc2ncn(Cc3ccccc3F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36

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
SCHEMBL7973917 0.87 LMNA (0.40) ALDH1A1ADORA2AADORA1LMNAPOLB
SCHEMBL7987222 0.85 PDE4A (0.49) NPC1RAB9AALDH1A1LMNAPOLB
SCHEMBL7974053 0.84 MET (0.44) TDP1KDM4EFFAR1
SCHEMBL7991417 0.84 PDE4A (0.42) NPC1RAB9AALDH1A1KDM4AKDM5A
SCHEMBL7985492 0.83 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1TP53TDP1
SCHEMBL7986754 0.83 PDE4A (0.45) NPC1RAB9AALDH1A1ADORA2AADORA1
SCHEMBL7974007 0.81 KDM4C (0.41) NPC1RAB9AALDH1A1ADORA2AADORA1
SCHEMBL7985118 0.81 ADRB2 (0.41) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL7984681 0.80 PDE4A (0.41) ALDH1A1ADORA2AADORA1LMNAPOLB
SCHEMBL7988749 0.80 PDE4A (0.41) ALDH1A1LMNAPOLBTP53PDE4A

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