SCHEMBL7478752

SCHEMBL7478752

COc1ccc(Cl)c2c1CN(Nc1ccncc1)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP19A1 P11511 1/20 0.32

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 SCHEMBL7483308 0.99 KCNMA1 (0.38) KCNMA1MEN1KMT2APOLBCTDSP1
SCHEMBL7480336 0.81 KDM4E (0.44) KCNMA1MEN1KMT2ATYK2RAB9A
Hydrochloric Acid SCHEMBL7490200 0.80 KDM4E (0.43) KCNMA1TYK2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7481050 0.78 KCNMA1 (0.35) KCNMA1MEN1KMT2APOLBJAK2
SCHEMBL7480365 0.78 CYP19A1 (0.44) JAK2ALDH1A1SMN1; SMN2NISCHCYP19A1
Bromide SCHEMBL7485672 0.77 KCNMA1 (0.35) KCNMA1MEN1KMT2APOLBJAK2
SCHEMBL7476937 0.76 CYP19A1 (0.42) MEN1KMT2AALDH1A1PKMRECQL
SCHEMBL7487024 0.76 ALDH1A1 (0.38) KCNMA1MEN1KMT2AALDH1A1PKM
SCHEMBL7477780 0.76 DRD1 (0.36) KCNMA1MEN1KMT2AJAK2ALDH1A1
SCHEMBL7480314 0.76 ALDH1A1 (0.34) KCNMA1MEN1KMT2AALDH1A1PKM

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