SCHEMBL7845549

SCHEMBL7845549

O=C(O)CCc1ccc2c(c1)CC(Br)C2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.40
KEAP1 Q14145 1/20 0.39
FFAR4 Q5NUL3 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTPRB P23467 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
PTEN P60484 1/20 0.36
PTPMT1 Q8WUK0 1/20 0.36
AKR1B1 P15121 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8091023 0.82 CYP4F2 (0.48)
SCHEMBL27394239 0.78 CA2 (0.39) AKR1B1CA2
SCHEMBL8050715 0.76 KMT2A (0.64) FFAR1FFAR4
SCHEMBL7845284 0.75 PARP1 (0.40) AKR1B1
SCHEMBL7835917 0.75 LDHA (0.37) KEAP1AKR1B1CA1CA2
SCHEMBL7522620 0.73 HSD17B10 (0.51)
SCHEMBL7845195 0.73 MAPT (0.44)
SCHEMBL7844888 0.73 JAK1 (0.36) AKR1B1CA1CA2
SCHEMBL6227273 0.73 AKR1B1 (0.49) FFAR1KEAP1FFAR4AKR1B1RXRA
SCHEMBL4305292 0.71 KCNJ1 (0.61) FFAR1KEAP1AKR1B1

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