SCHEMBL8553972

SCHEMBL8553972

Cc1c(CC(=O)O)c2cc(C(=O)C(C)C)cc3c2n1CCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCL1 Q07820 5/20 0.36
ALOX5 P09917 1/20 0.36
BCL2L1 Q07817 1/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCL2 P10415 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9304089 0.87 MEN1 (0.52) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL8553141 0.82 MEN1 (0.45) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL8557902 0.77 KMT2A (0.45) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL8557855 0.77 ALOX5 (0.55) MEN1KMT2AMAPK1ALOX5HPGD
SCHEMBL8554628 0.76 HTR2A (0.64) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL8555671 0.73 ALOX5 (0.74) MEN1KMT2AMAPK1HTR2AHTR2C
Hydrochloric Acid SCHEMBL8554866 0.73 ALOX5 (0.73) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL8556575 0.72 HTR2A (0.60) MEN1KMT2AHTR2AHTR2CMCL1
SCHEMBL9303580 0.68 MAPK1 (0.56) MEN1KMT2AMAPK1HTR2AHTR2C
SCHEMBL9302647 0.67 MAPK1 (0.55) MEN1KMT2AMAPK1HTR2AHTR2C

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