SCHEMBL7475383

SCHEMBL7475383

COc1cc(Br)c2c(c1OCc1ccccc1)CN(Nc1ccncc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.38
CHRNA7 P36544 2/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
F2 P00734 2/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
Fumaric Acid SCHEMBL7481233 0.93 MEN1 (0.47) KMT2AMEN1ALDH1A1KDM4EGAA
Fumaric Acid SCHEMBL7481240 0.93 MEN1 (0.47) KMT2AMEN1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL7481541 0.92 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7478156 0.82 CHRNA7 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7477683 0.77 CHRNA7 (0.62) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7481238 0.76 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7476937 0.76 CYP19A1 (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL16210671 0.75 PTGDR2 (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL16210632 0.72 PTGDR2 (0.45)
SCHEMBL16210365 0.70 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EGAA

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