SCHEMBL9052065

SCHEMBL9052065

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)nc1.Cc1ccc2c(Nc3ccc(Oc4cccnc4)nc3)ccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
IGF1R P08069 1/20 0.37
GAA P10253 1/20 0.36
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PDE4B Q07343 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL8323681 0.87 MAPT (0.49) MAPTTP53THRBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL8330804 0.86 MAPT (0.49) MAPTTP53THRBGAASMN1; SMN2
SCHEMBL9541717 0.84 MAPT (0.50) MAPTTP53THRBGAASMN1; SMN2
SCHEMBL8323951 0.81 MAPT (0.41) MAPTTP53THRBHTR2CSMN1; SMN2
SCHEMBL8561030 0.79 MAPT (0.56) MAPTTP53THRBGAASMN1; SMN2
SCHEMBL8328461 0.79 MAPT (0.52) MAPTTP53THRBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL8625846 0.78 MAPT (0.55) MAPTTP53THRBGAASMN1; SMN2
SCHEMBL8327883 0.78 MAPT (0.48) MAPTTP53THRBGAASMN1; SMN2
SCHEMBL8322588 0.78 ALDH1A1 (0.47) MAPTIGF1RHTR2CALDH1A1LMNA
Hydrochloric Acid SCHEMBL8328640 0.78 MAPT (0.51) MAPTTP53THRBGAASMN1; 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-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed