SCHEMBL8556954

SCHEMBL8556954

COc1ccc(-c2c(CC(=O)O)c3cccc4c3n2CCC4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.47
MCL1 Q07820 4/20 0.46
BCL2L1 Q07817 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
BCL2 P10415 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.40
MTNR1A P48039 2/20 0.40

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
SCHEMBL8556651 0.85 HTR2A (0.47) KDM4EMAPTMAPK1HTTKMT2A
SCHEMBL8554628 0.78 HTR2A (0.64) KDM4EMAPK1HTTKMT2AMCL1
SCHEMBL8556575 0.75 HTR2A (0.60) KDM4EHTTKMT2AMCL1BCL2L1
SCHEMBL8552561 0.74 MCL1 (0.57) KDM4EMAPK1HTTKMT2AMCL1
SCHEMBL8552605 0.69 HTR2A (0.69) KDM4EHTTKMT2AMCL1BCL2L1
SCHEMBL9431551 0.68 KDM4E (0.44) KDM4EMAPTMAPK1HTTKMT2A
SCHEMBL9305955 0.68 HTR2A (0.59) KDM4EMAPK1HTTKMT2AMCL1
SCHEMBL17686287 0.67 MCL1 (0.63) KDM4EMAPK1HTTKMT2AMCL1
SCHEMBL17686307 0.67 MCL1 (0.53) KDM4EMAPTMAPK1HTTKMT2A
SCHEMBL17686297 0.66 MCL1 (0.52) KDM4EMAPTMAPK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed