SCHEMBL8326516

SCHEMBL8326516

CCOc1ccc(Nc2c(C(=O)O)cnc3nc(OCC)ccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.45
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
PAX8 Q06710 1/20 0.39
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.37
MELK Q14680 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 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
SCHEMBL8329045 0.89 MAPT (0.53) POLBMAPTPAX8GAAALDH1A1
Hydrochloric Acid SCHEMBL8331150 0.88 MAPT (0.52) POLBMAPTPAX8GAAKDM4E
SCHEMBL8561203 0.88 GAA (0.49) MAPTPAX8GAAALDH1A1SMN1; SMN2
SCHEMBL8328843 0.85 MEN1 (0.42) MEN1KMT2APOLBMAPTUSP2
SCHEMBL8328001 0.82 MELK (0.47) MEN1KMT2APOLBMAPTUSP2
SCHEMBL8329054 0.81 MAPT (0.42) MEN1KMT2APOLBMAPTUSP2
SCHEMBL8668728 0.78 MAPT (0.47) POLBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8561277 0.78 PDE4B (0.61) MEN1KMT2AMAPTPAX8GAA
Hydrochloric Acid SCHEMBL8563873 0.77 PDE4B (0.60) MEN1KMT2AMAPTPAX8GAA
SCHEMBL8323951 0.77 MAPT (0.41) MEN1KMT2AMAPTPABPC1EGFR

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