SCHEMBL7845176

SCHEMBL7845176

CC(C(=O)O)c1cccc2c1CC(Br)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
CXCL8 P10145 1/20 0.36
ACHE P22303 2/20 0.36
SLC25A5 P05141 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
MMP16 P51512 1/20 0.33
NPC1 O15118 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
SCHEMBL8098396 0.83 ACHE (0.38) ACHESLC25A5SMN1; SMN2MEN1LMNA
SCHEMBL287031 0.73 ALDH1A1 (0.42) PTGS2CXCL8SMN1; SMN2TP53MEN1
SCHEMBL7976476 0.72 PPARA (0.42) ACHESMN1; SMN2TP53LMNAMAPT
SCHEMBL8560121 0.72 ACHE (0.66) ACHEMEN1KMT2A
SCHEMBL7822661 0.71 AKR1B1 (0.40) PTGS2ACHEAKR1B1MAPT
SCHEMBL8099246 0.71 ACHE (0.45) PTGS2ACHESMN1; SMN2TP53MEN1
SCHEMBL7962737 0.70 ABCB1 (0.39) ACHELMNAPKMHTTMAPT
SCHEMBL7180368 0.70 PARP10 (0.44) ACHEHDAC6
SCHEMBL8555103 0.70 PIM1 (0.46) ACHEMEN1KMT2ANPC1GAA
SCHEMBL8314704 0.70 NPC1 (0.51) SMN1; SMN2LMNACYP2D6CYP2C19NPC1

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-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed