SCHEMBL7475413

SCHEMBL7475413

c1ccc(COc2ccc(CCNNc3ccncc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.76
▸ KCNH2 Q12809 1/20 0.76
▸ GRIN2B Q13224 1/20 0.76
▸ BCHE P06276 7/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HMOX1 P09601 1/20 0.49
▸ LTA4H P09960 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47

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 SCHEMBL7480873 0.99 F2 (0.74) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL12443081 0.81 F2 (0.89) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL7316316 0.77 F2 (1.00) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL7482196 0.76 TMEM97 (0.47) F2KCNH2GRIN2B
SCHEMBL8783402 0.76 F2 (0.63) F2KCNH2GRIN2BBCHEHMOX1
SCHEMBL953509 0.75 F2 (0.65) F2KCNH2GRIN2BBCHENPC1
SCHEMBL6237452 0.74 L3MBTL1 (0.59) MEN1KMT2ANPC1SMN1; SMN2MAPK1
SCHEMBL2157904 0.73 BCHE (0.69) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL18459237 0.73 BCHE (0.69) F2KCNH2GRIN2BBCHEMEN1
SCHEMBL14277258 0.73 BCHE (0.69) F2KCNH2GRIN2BBCHEMEN1

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 7 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
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
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