SCHEMBL8329674

SCHEMBL8329674

CCOc1cc2c(Nc3ccc(Oc4ccccn4)cc3)c(C(=O)O)cnc2nc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
DHODH Q02127 1/20 0.41
PTGS2 P35354 1/20 0.39
P2RX3 P56373 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8328461 0.92 MAPT (0.52) MAPTPTGS2SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8328640 0.92 MAPT (0.51) MAPTPTGS2SMN1; SMN2NPC1KDM4E
SCHEMBL8323951 0.90 MAPT (0.41) MAPTDHODHP2RX3SMN1; SMN2KDM4E
SCHEMBL8564146 0.85 CSF1R (0.50) MAPTSMN1; SMN2NPC1KMT2ANPSR1
SCHEMBL8328465 0.85 PTGS2 (0.40) MAPTDHODHPTGS2P2RX3KDM4E
SCHEMBL8561030 0.84 MAPT (0.56) MAPTSMN1; SMN2NPC1KDM4E
Hydrochloric Acid SCHEMBL8625846 0.83 MAPT (0.55) MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL8560369 0.83 MAPT (0.44) MAPTSMN1; SMN2NPC1KDM4E
SCHEMBL8323681 0.83 MAPT (0.49) MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL8330063 0.83 DHODH (0.43) MAPTDHODHP2RX3SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed