SCHEMBL8328843

SCHEMBL8328843

CCOc1ccc(Nc2c(C(=O)O)cnc3nc(C)c(OCC)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.40
EGFR P00533 3/20 0.40
PAX8 Q06710 1/20 0.39
ERBB2 P04626 1/20 0.39
PABPC1 P11940 2/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DHODH Q02127 1/20 0.37
NPC1 O15118 1/20 0.36
CSF1R P07333 1/20 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
SCHEMBL8327883 0.91 MAPT (0.48) MEN1KMT2AMAPTPAX8KDM4E
SCHEMBL8323951 0.91 MAPT (0.41) MEN1KMT2AMAPTEGFRERBB2
Hydrochloric Acid SCHEMBL8327246 0.90 MAPT (0.47) MEN1KMT2AMAPTPAX8KDM4E
SCHEMBL8564146 0.86 CSF1R (0.50) MEN1KMT2AMAPTEGFRPAX8
SCHEMBL8326516 0.85 MEN1 (0.46) MEN1KMT2APOLBMAPTEGFR
SCHEMBL8323681 0.84 MAPT (0.49) MEN1KMT2AMAPTPAX8KDM4E
SCHEMBL8560369 0.83 MAPT (0.44) MAPTPAX8KDM4EALDH1A1SMN1; SMN2
SCHEMBL8327888 0.83 MAPT (0.38) MEN1KMT2APOLBMAPTPAX8
SCHEMBL8329797 0.83 MAPK8 (0.44) MEN1KMT2AEGFRERBB2KDM4E
Hydrochloric Acid SCHEMBL8330804 0.83 MAPT (0.49) MEN1KMT2AMAPTPAX8KDM4E

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