SCHEMBL7479829

SCHEMBL7479829

O=C1Cc2ccc(Cl)cc2C(=O)N1Nc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.51
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
KCNMA1 Q12791 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ITGA1 P56199 1/20 0.37
F7 P08709 1/20 0.35
PARP1 P09874 1/20 0.35
F3 P13726 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7486935 0.84 CASP6 (0.51) CASP6LMNAKDM4ETDP1
SCHEMBL7487924 0.84 CASP6 (0.51) CASP6MEN1KMT2APARP1PARP10
SCHEMBL7476799 0.81 ALDH1A1 (0.51) CASP6TYK2MEN1KMT2ALMNA
SCHEMBL7485422 0.81 CASP6 (0.48) CASP6JAK2JAK1TYK2PDCD1
Hydrochloric Acid SCHEMBL8418433 0.79 ALDH1A1 (0.49) CASP6TYK2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL8418434 0.79 ALDH1A1 (0.49) CASP6TYK2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7482266 0.78 ALDH1A1 (0.48) CASP6TYK2MEN1KMT2ALMNA
SCHEMBL13806860 0.78 CASP6 (0.78) CASP6MEN1KMT2AITGA1LMNA
SCHEMBL8860253 0.70 CASP6 (0.38) CASP6MEN1KMT2A
SCHEMBL9390048 0.69 CASP6 (0.44) CASP6MEN1KMT2AF7PARP1

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 5 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-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed