SCHEMBL7481564

SCHEMBL7481564

O=C1c2ccc(O)cc2C(=O)N1NCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SLC2A4 P14672 1/20 0.43
ESR1 P03372 6/20 0.43
ESR2 Q92731 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 3/20 0.42
TSHR P16473 1/20 0.41
ANPEP P15144 2/20 0.40
DPP4 P27487 2/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL7475918 0.97 STAT3 (0.43) STAT3NPSR1ALDH1A1SLC2A4ESR1
Hydrochloric Acid SCHEMBL7475915 0.97 STAT3 (0.43) STAT3NPSR1ALDH1A1SLC2A4ESR1
SCHEMBL7480860 0.82 SMN1; SMN2 (0.56) NPSR1ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL7477593 0.78 ESR1 (0.46) STAT3NPSR1ALDH1A1ESR1ESR2
Hydrochloric Acid SCHEMBL7481106 0.77 ESR1 (0.45) STAT3NPSR1ALDH1A1ESR1ESR2
SCHEMBL29115326 0.75 SMN1; SMN2 (0.44) ALDH1A1SLC2A4SMN1; SMN2CYP19A1TSHR
SCHEMBL2036237 0.68 L3MBTL1 (0.54) NPSR1ALDH1A1LMNA
SCHEMBL7481560 0.67 ESR1 (0.44) ALDH1A1ESR1ESR2ANPEPDPP4
SCHEMBL7900508 0.65 ESR1 (0.62) ESR1ESR2ANPEPDPP4
SCHEMBL31409508 0.65 CYP19A1 (0.50) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP claimed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO claimed