SCHEMBL7645537

SCHEMBL7645537

COc1ccc(C(NCCN(CC(=O)O)C(=O)Cn2ccnc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
AHR P35869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 2/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL7637178 0.94 CYP19A1 (0.43) CYP19A1ALDH1A1MAPTTSHRMAPK1
SCHEMBL7644928 0.84 HDAC1 (0.33) CYP19A1TSHR
SCHEMBL7641429 0.78 IDH1 (0.37) CYP19A1ALDH1A1MAPTKDM4E
SCHEMBL7641485 0.78 HDAC1 (0.33) CYP19A1TSHR
SCHEMBL3265800 0.77 CYP1A2 (0.45) KDM4E
SCHEMBL7634148 0.77 SMN1; SMN2 (0.33) ALDH1A1MAPTTSHRGAATP53
SCHEMBL7645535 0.76 CYP3A4 (0.48) CYP19A1ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL3927363 0.76 TK1 (0.47)
SCHEMBL7637994 0.74 RNF4 (0.41) ALDH1A1MAPTL3MBTL1TP53NPSR1
SCHEMBL3249567 0.72 RET (0.47) ALDH1A1MAPTTP53KDM4ENPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7258222-A None JP disclosed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
JP-H07258222-A SUBSTITUTED N-ETHYLGLYCINE DERIVATIVE FOR PRODUCING PNA AND PNA/DNA HYBRID HOECHST AG 1995-10-09 JP disclosed