SCHEMBL7845284

SCHEMBL7845284

CN(C)C(=O)Cc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
METAP1 P53582 5/20 0.39
CHEK1 O14757 3/20 0.39
AKR1B1 P15121 3/20 0.37
LDHA P00338 1/20 0.37
KDM1A O60341 1/20 0.36
CYP26A1 O43174 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL27394239 0.82 CA2 (0.39) METAP1AKR1B1CYP26A1
SCHEMBL7845195 0.82 MAPT (0.44) LDHA
SCHEMBL7835917 0.81 LDHA (0.37) METAP1AKR1B1LDHAJAK1
SCHEMBL7844888 0.79 JAK1 (0.36) AKR1B1JAK1
SCHEMBL7845549 0.75 FFAR1 (0.40) AKR1B1
SCHEMBL8091023 0.74 CYP4F2 (0.48)
SCHEMBL7844764 0.74 AKR1B1 (0.50) PARP1AKR1B1
SCHEMBL7847556 0.72 MET (0.35) PARP1METAP1CHEK1AKR1B1LDHA
SCHEMBL2010435 0.71 HTR2A (0.42)
Ammonia Solution, Strong SCHEMBL7592015 0.70 ALDH1A1 (0.43) PARP1AKR1B1

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 5 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
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 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) 1999-05-11 US 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