SCHEMBL7820637

SCHEMBL7820637

O=CN(C=O)CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SRD5A2 P31213 4/20 0.43
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL12559833 0.86 MAPT (0.52) TSHRALDH1A1KDM4EUSP2ALOX15
SCHEMBL8019477 0.75 CA1 (0.54) TSHRTP53ALDH1A1KDM4ECA1
SCHEMBL6832412 0.72 TSHR (0.55) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL1006723 0.72 TSHR (0.92) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL28020052 0.72 TSHR (0.60) TSHRTP53ALDH1A1SRD5A2CA1
SCHEMBL28594420 0.71 TSHR (0.67) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL28917771 0.70 TSHR (0.75) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL22191621 0.70 TSHR (0.75) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL27621986 0.70 TSHR (0.57) TSHRTP53ALDH1A1SRD5A2CA1
Terephthalic Acid SCHEMBL27973466 0.70 TSHR (0.57) TSHRTP53ALDH1A1SRD5A2KDM4E

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-0880522-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES AMPA AND NMDA RECEPTORS ANTAGONISTS, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
US-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed
EP-0880522-A1 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1998-12-02 EP disclosed
WO-1997025328-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed