SCHEMBL9541717

SCHEMBL9541717

CCOC(=O)c1cnc2nc(C)c(OCC)cc2c1Nc1ccc(Oc2ccccc2)cc1.CCOc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ccnc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.44
PDE4B Q07343 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.43
PAX8 Q06710 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL8561030 0.93 MAPT (0.56) MAPTSMN1; SMN2TP53THRBPDE4B
Hydrochloric Acid SCHEMBL8625846 0.93 MAPT (0.55) MAPTSMN1; SMN2TP53THRBPDE4B
SCHEMBL8560347 0.86 ERBB2 (0.52) MAPTSMN1; SMN2TP53THRBNPC1
SCHEMBL8328461 0.86 MAPT (0.52) MAPTSMN1; SMN2TP53THRBPDE4B
SCHEMBL8559604 0.85 MAPT (0.62) MAPTSMN1; SMN2TP53THRBPDE4B
Hydrochloric Acid SCHEMBL8328640 0.85 MAPT (0.51) MAPTSMN1; SMN2TP53THRBPDE4B
Hydrochloric Acid SCHEMBL8566240 0.85 ERBB2 (0.51) MAPTSMN1; SMN2TP53THRBNPC1
SCHEMBL8323681 0.85 MAPT (0.49) MAPTSMN1; SMN2TP53THRBPDE4B
Hydrochloric Acid SCHEMBL8561142 0.84 MAPT (0.61) MAPTSMN1; SMN2TP53THRBPDE4B
Hydrochloric Acid SCHEMBL8330804 0.84 MAPT (0.49) MAPTSMN1; SMN2TP53THRBPDE4B

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
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed