SCHEMBL11256003

SCHEMBL11256003

CN(C)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(C)C)sc3c(C(=O)O)c2s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ NPC1 O15118 2/20 0.40
▸ GLS O94925 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK10 P53779 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
SCHEMBL11257042 0.90 MAPT (0.41) MAPTNPC1GLSLMNATP53
SCHEMBL11256038 0.88 MAPT (0.41) MAPTNPC1GLSLMNATP53
SCHEMBL11270839 0.88 MAPT (0.45) MAPTNPC1GLSLMNATP53
SCHEMBL11257125 0.86 NPC1 (0.44) MAPTNPC1GLSLMNATP53
SCHEMBL11265038 0.83 MAPT (0.41) MAPTNPC1GLSLMNATP53
SCHEMBL11259929 0.83 MAPT (0.55) MAPTNPC1GLSLMNAMAPK1
SCHEMBL11255987 0.76 KMT2A (0.38) MAPTNPC1LMNATP53MEN1
SCHEMBL11261115 0.76 MAPT (0.51) MAPTNPC1LMNATP53MAPK1
SCHEMBL11259854 0.73 SMN1; SMN2 (0.52) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL11271738 0.73 MAPT (0.48) MAPTNPC1LMNATP53MAPK1

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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