SCHEMBL6589327

SCHEMBL6589327

C=C1c2ccccc2C(=O)N1c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 2/20 0.44
SCN2A Q99250 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
STAT3 P40763 1/20 0.39

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
SCHEMBL11619942 0.87 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL12464406 0.87 KMT2A (0.59) ALDH1A1MEN1KMT2ASCN2ACA12
SCHEMBL12464603 0.85 KMT2A (0.62) ALDH1A1MEN1KMT2ASCN2ACA12
SCHEMBL25880393 0.85 MEN1 (0.52) ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL28812426 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2ASCN2A
SCHEMBL29842449 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2ASCN2A
SCHEMBL24453235 0.75 KMT2A (0.44) ALDH1A1HTTMEN1KMT2ASCN2A
SCHEMBL6591136 0.75 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL6593962 0.75 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL6591833 0.75 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703232-B1 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2004-06-30 EP claimed
US-5567718-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1996-10-22 US claimed
EP-0703232-A2 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-27 EP claimed
EP-0703232-B1 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2004-06-30 EP disclosed
US-5874458-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1999-02-23 US disclosed
US-5874583-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA HOECHST MARION ROUSSEL INC. (US) 1999-02-23 US disclosed
US-5869685-A SEROTONIN REUPTAKE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5869502-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5567718-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL INC. (US) 1996-10-22 US disclosed
EP-0703232-A2 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-27 EP disclosed