SCHEMBL8558110

SCHEMBL8558110

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ALOX5 P09917 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.30
MCL1 Q07820 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
SCHEMBL27377759 0.83 KMT2A (0.43) HTR2AHTR2CALOX5KMT2AMEN1
SCHEMBL8557902 0.83 KMT2A (0.45) HTR2AHTR2CALOX5KMT2AMEN1
SCHEMBL9302744 0.79 MEN1 (0.52) HTR2AHTR2CALOX5KMT2AMEN1
SCHEMBL8555442 0.77 LIPG (0.47) HTR2AHTR2CALOX5KMT2AMEN1
SCHEMBL8554000 0.70 ALOX5 (0.55) ALOX5KMT2AMEN1MAPK1POLB
SCHEMBL3546198 0.70 HTR2C (0.42) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL3545521 0.69 HTR2C (0.41) HTR2AHTR2CKMT2AMEN1MAPK1
SCHEMBL3547592 0.68 KMT2A (0.39) HTR2CKMT2AMEN1POLBHPGD
SCHEMBL8553506 0.65 LIPG (0.47) HTR2AHTR2CALOX5KMT2AMEN1
Ethyl Acetate SCHEMBL27377762 0.63 KMT2A (0.41) KMT2AMEN1MAPK1ALDH1A1MAPT

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