SCHEMBL4462617

SCHEMBL4462617

COc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.58
CYP19A1 P11511 2/20 0.53
ACHE P22303 1/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP24A1 Q07973 4/20 0.46
CYP27A1 Q02318 3/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TSHR P16473 1/20 0.45
CYP26A1 O43174 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MIF P14174 1/20 0.43

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
SCHEMBL1180262 0.87 ACHE (0.69) METAP1CYP19A1ACHEALDH1A1HTR2A
SCHEMBL2440274 0.84 CYP24A1 (0.56) METAP1CYP19A1ACHECYP24A1CYP27A1
SCHEMBL5241361 0.81 CYP24A1 (0.51) METAP1CYP19A1ACHECYP24A1CYP27A1
SCHEMBL23181421 0.81 METAP1 (0.60) METAP1CYP19A1ACHEALDH1A1CYP24A1
SCHEMBL316629 0.81 ACHE (0.76) METAP1CYP19A1ACHEALDH1A1HTR2A
SCHEMBL316628 0.80 METAP1 (0.58) METAP1CYP19A1ACHEALDH1A1CYP24A1
SCHEMBL31189156 0.80 METAP1 (0.58) METAP1CYP19A1ACHEALDH1A1CYP24A1
SCHEMBL6205297 0.80 CES1 (0.47) METAP1CYP19A1KDM4E
SCHEMBL9136817 0.79 METAP1 (0.42) METAP1CYP19A1ACHEALDH1A1CYP24A1
SCHEMBL29194896 0.79 METAP1 (0.50) METAP1CYP19A1ACHEALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
US-6528232-B1 Chemically amplified photoresist composition using the novel sulfonium salt compound as the photoacid generator NEC CORPORATION (JP) 2003-03-04 US disclosed
EP-1007507-B1 PROCESS FOR PREPARING 2-CYANOINDAN-1-ONES BAYER AG (DE) 2002-11-06 EP disclosed
US-6355827-B1 CYANATION OF HALOINDAN-1-ONE BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1007507-A2 PROCESS FOR PREPARING 2-CYANOINDAN-1-ONES Bayer Aktiengesellschaft (DE) 2000-06-14 EP disclosed
EP-0752991-B1 IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
WO-1999010315-A2 PROCESS FOR PREPARING 2-CYANOINDAN-1-ONES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-04 WO disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed
EP-0662971-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE POULENC RORER SA (FR) 1998-05-13 EP disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed
EP-0662971-A1 DERIVATIVES OF 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM Aventis Pharma S.A. (FR) 1995-07-19 EP disclosed
WO-1994007893-A1 DERIVATIVES OF 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1994-04-14 WO disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed