SCHEMBL8557902

SCHEMBL8557902

Cc1c(CC(=O)O)c2cc([N+](=O)[O-])cc3c2n1CCC3

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
PLA2G2A P14555 1/20 0.36
MCL1 Q07820 2/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL9302744 0.87 MEN1 (0.52) KMT2AMEN1MAPK1HTR2AHTR2C
SCHEMBL8558110 0.83 HTR2A (0.44) KMT2AMEN1MAPK1HTR2AHTR2C
SCHEMBL27377759 0.82 KMT2A (0.43) KMT2AMEN1MAPK1PTGDR2HTR2A
SCHEMBL8553972 0.77 MEN1 (0.45) KMT2AMEN1MAPK1PTGDR2HTR2A
SCHEMBL8553141 0.77 MEN1 (0.45) KMT2AMEN1MAPK1PTGDR2HTR2A
SCHEMBL8554000 0.77 ALOX5 (0.55) KMT2AMEN1MAPK1ALOX5POLB
SCHEMBL8554628 0.76 HTR2A (0.64) KMT2AMEN1MAPK1HTR2AHTR2C
SCHEMBL8558162 0.71 ALOX5 (0.74) KMT2AMEN1HTR2AHTR2CALOX5
SCHEMBL3546198 0.69 HTR2C (0.42) KMT2AMEN1MAPK1HTR2AHTR2C
SCHEMBL3545521 0.69 HTR2C (0.41) KMT2AMEN1MAPK1HTR2AHTR2C

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